2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol

C24H36O4 — CID 142867085

IUPAC2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
SMILESCCCCCCC(C)(C)c1ccc(-c2cc(CO)ccc2CO)c(O)c1.CO
InChIInChI=1S/C23H32O3.CH4O/c1-4-5-6-7-12-23(2,3)19-10-11-20(22(26)14-19)21-13-17(15-24)8-9-18(21)16-25;1-2/h8-11,13-14,24-26H,4-7,12,15-16H2,1-3H3;2H,1H3
InChIKeyYBVMMGDTKLPZCC-UHFFFAOYSA-N
MW388.55 g/mol
LogP4.90
Rot. Bonds9

About 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol

2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol (PubChem CID 142867085) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol.

Molecular Properties

Compound Name2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
PubChem CID142867085
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
SMILESCCCCCCC(C)(C)c1ccc(-c2cc(CO)ccc2CO)c(O)c1.CO
InChIInChI=1S/C23H32O3.CH4O/c1-4-5-6-7-12-23(2,3)19-10-11-20(22(26)14-19)21-13-17(15-24)8-9-18(21)16-25;1-2/h8-11,13-14,24-26H,4-7,12,15-16H2,1-3H3;2H,1H3
InChIKeyYBVMMGDTKLPZCC-UHFFFAOYSA-N
XLogP4.90
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
1-ethyl-3-[[2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]phenyl]methyl]urea
CID 11596397
4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
CID 174529240
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
CID 15571562
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
bis(2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenol);nickel
CID 87330010
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
2-[(3E)-hexa-1,3,5-trien-3-yl]-5-(2-methyloctan-2-yl)phenol
CID 143249985
2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 12788220
2-butyl-5-(2-methylbutan-2-yl)phenol
CID 150152087

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol?
The IUPAC name of 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol (CID 142867085) is 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol.
What is the SMILES notation for 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol?
The canonical SMILES for 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol is CCCCCCC(C)(C)c1ccc(-c2cc(CO)ccc2CO)c(O)c1.CO.
What is the InChIKey of 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol?
The InChIKey is YBVMMGDTKLPZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3.CH4O/c1-4-5-6-7-12-23(2,3)19-10-11-20(22(26)14-19)21-13-17(15-24)8-9-18(21)16-25;1-2/h8-11,13-14,24-26H,4-7,12,15-16H2,1-3H3;2H,1H3.
What are the key properties of 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol?
2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol has a molecular weight of 388.55 g/mol, XLogP of 4.90, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol is sourced from PubChem (CID 142867085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).