4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol

C21H26O3 — CID 155000450

IUPAC4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol
SMILESCc1cccc(C(c2ccc(O)c(C)c2)C2CCC(O)C(O)C2)c1
InChIInChI=1S/C21H26O3/c1-13-4-3-5-15(10-13)21(16-6-8-18(22)14(2)11-16)17-7-9-19(23)20(24)12-17/h3-6,8,10-11,17,19-24H,7,9,12H2,1-2H3
InChIKeyRSKNVTGDMQSGDH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.66
Rot. Bonds3

About 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol

4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol (PubChem CID 155000450) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol
PubChem CID155000450
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol
SMILESCc1cccc(C(c2ccc(O)c(C)c2)C2CCC(O)C(O)C2)c1
InChIInChI=1S/C21H26O3/c1-13-4-3-5-15(10-13)21(16-6-8-18(22)14(2)11-16)17-7-9-19(23)20(24)12-17/h3-6,8,10-11,17,19-24H,7,9,12H2,1-2H3
InChIKeyRSKNVTGDMQSGDH-UHFFFAOYSA-N
XLogP3.66
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
CID 66837099
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122
4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
CID 67606453
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118
4-(1-amino-2-cyclopropylethyl)-2-methylphenol
CID 55297167
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine
CID 143610202

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol?
The IUPAC name of 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol (CID 155000450) is 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol.
What is the SMILES notation for 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol?
The canonical SMILES for 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol is Cc1cccc(C(c2ccc(O)c(C)c2)C2CCC(O)C(O)C2)c1.
What is the InChIKey of 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol?
The InChIKey is RSKNVTGDMQSGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-13-4-3-5-15(10-13)21(16-6-8-18(22)14(2)11-16)17-7-9-19(23)20(24)12-17/h3-6,8,10-11,17,19-24H,7,9,12H2,1-2H3.
What are the key properties of 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol?
4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol has a molecular weight of 326.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylphenyl)-(3-methylphenyl)methyl]cyclohexane-1,2-diol is sourced from PubChem (CID 155000450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).