[2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene

C64H72O4 — CID 161087848

IUPAC[2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene
SMILESCOc1cc(-c2ccc(C)c(CO)c2)ccc1C.Cc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2cc(C)c(C)c(C)c2)cc1.Cc1ccc(-c2ccc(C)cc2CO)c(CO)c1
InChIInChI=1S/2C16H18O2.2C16H18/c1-11-4-6-13(8-15(11)10-17)14-7-5-12(2)16(9-14)18-3;1-11-3-5-15(13(7-11)9-17)16-6-4-12(2)8-14(16)10-18;1-11-5-7-15(8-6-11)16-9-12(2)14(4)13(3)10-16;1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4/h4-9,17H,10H2,1-3H3;3-8,17-18H,9-10H2,1-2H3;2*5-10H,1-4H3
InChIKeyUGTNPXWKAPEFLF-UHFFFAOYSA-N
MW905.28 g/mol
LogP15.60
Rot. Bonds8

About [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene

[2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene (PubChem CID 161087848) has the molecular formula C64H72O4 and a molecular weight of 905.28 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene
PubChem CID161087848
Molecular FormulaC64H72O4
Molecular Weight905.28 g/mol
Exact Mass904.54
IUPAC Name[2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene
SMILESCOc1cc(-c2ccc(C)c(CO)c2)ccc1C.Cc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2cc(C)c(C)c(C)c2)cc1.Cc1ccc(-c2ccc(C)cc2CO)c(CO)c1
InChIInChI=1S/2C16H18O2.2C16H18/c1-11-4-6-13(8-15(11)10-17)14-7-5-12(2)16(9-14)18-3;1-11-3-5-15(13(7-11)9-17)16-6-4-12(2)8-14(16)10-18;1-11-5-7-15(8-6-11)16-9-12(2)14(4)13(3)10-16;1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4/h4-9,17H,10H2,1-3H3;3-8,17-18H,9-10H2,1-2H3;2*5-10H,1-4H3
InChIKeyUGTNPXWKAPEFLF-UHFFFAOYSA-N
XLogP15.60
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.28
LogP ≤ 515.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-bis(4-methylphenyl)fluorene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9H-fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;ethane;5-ethyl-1,2,3-trimethylbenzene;1,2,3,4,5,6-hexamethylbenzene;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3,4,5-pentamethylbenzene;toluene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene
CID 158016782
[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol
CID 59148672
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
bis(1,2-dimethyl-4-(2-methylphenyl)benzene);bis(1,2-dimethyl-4-phenylbenzene);1-(3,4-dimethylphenyl)-2,4-dimethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;bis(1,2,3-trimethyl-5-phenylbenzene)
CID 161130606
(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 158726026
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 158455237
(6,8-dimethylazulen-4-yl)methanol
CID 12607568
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene
CID 161447273

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The IUPAC name of [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene (CID 161087848) is [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene.
What is the SMILES notation for [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The canonical SMILES for [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene is COc1cc(-c2ccc(C)c(CO)c2)ccc1C.Cc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2cc(C)c(C)c(C)c2)cc1.Cc1ccc(-c2ccc(C)cc2CO)c(CO)c1.
What is the InChIKey of [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The InChIKey is UGTNPXWKAPEFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18O2.2C16H18/c1-11-4-6-13(8-15(11)10-17)14-7-5-12(2)16(9-14)18-3;1-11-3-5-15(13(7-11)9-17)16-6-4-12(2)8-14(16)10-18;1-11-5-7-15(8-6-11)16-9-12(2)14(4)13(3)10-16;1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4/h4-9,17H,10H2,1-3H3;3-8,17-18H,9-10H2,1-2H3;2*5-10H,1-4H3.
What are the key properties of [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
[2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene has a molecular weight of 905.28 g/mol, XLogP of 15.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol;[5-(3-methoxy-4-methylphenyl)-2-methylphenyl]methanol;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene is sourced from PubChem (CID 161087848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).