(2,3,4,5,6-pentamethylphenyl)-phenylmethanol

C18H22O — CID 2803280

IUPAC(2,3,4,5,6-pentamethylphenyl)-phenylmethanol
SMILESCc1c(C)c(C)c(C(O)c2ccccc2)c(C)c1C
InChIInChI=1S/C18H22O/c1-11-12(2)14(4)17(15(5)13(11)3)18(19)16-9-7-6-8-10-16/h6-10,18-19H,1-5H3
InChIKeyJTSXBBDWXPSBQM-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.31
Rot. Bonds2

About (2,3,4,5,6-pentamethylphenyl)-phenylmethanol

(2,3,4,5,6-pentamethylphenyl)-phenylmethanol (PubChem CID 2803280) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (2,3,4,5,6-pentamethylphenyl)-phenylmethanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentamethylphenyl)-phenylmethanol
PubChem CID2803280
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(2,3,4,5,6-pentamethylphenyl)-phenylmethanol
SMILESCc1c(C)c(C)c(C(O)c2ccccc2)c(C)c1C
InChIInChI=1S/C18H22O/c1-11-12(2)14(4)17(15(5)13(11)3)18(19)16-9-7-6-8-10-16/h6-10,18-19H,1-5H3
InChIKeyJTSXBBDWXPSBQM-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[hydroxy(phenyl)methyl]-3-methylphenol
CID 54494463
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646
(2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426267
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
1-[chloro(phenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 2776679
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
furan-2-yl-(2,3,4,5,6-pentamethylphenyl)methanol
CID 61099242
(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
CID 98619139
phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol
CID 15053974
(1S)-1-phenylethanol
CID 157125626
[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid
CID 99773321

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentamethylphenyl)-phenylmethanol?
The IUPAC name of (2,3,4,5,6-pentamethylphenyl)-phenylmethanol (CID 2803280) is (2,3,4,5,6-pentamethylphenyl)-phenylmethanol.
What is the SMILES notation for (2,3,4,5,6-pentamethylphenyl)-phenylmethanol?
The canonical SMILES for (2,3,4,5,6-pentamethylphenyl)-phenylmethanol is Cc1c(C)c(C)c(C(O)c2ccccc2)c(C)c1C.
What is the InChIKey of (2,3,4,5,6-pentamethylphenyl)-phenylmethanol?
The InChIKey is JTSXBBDWXPSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-11-12(2)14(4)17(15(5)13(11)3)18(19)16-9-7-6-8-10-16/h6-10,18-19H,1-5H3.
What are the key properties of (2,3,4,5,6-pentamethylphenyl)-phenylmethanol?
(2,3,4,5,6-pentamethylphenyl)-phenylmethanol has a molecular weight of 254.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentamethylphenyl)-phenylmethanol is sourced from PubChem (CID 2803280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).