4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol

C20H24O2 — CID 2303370

IUPAC4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
SMILESC[C@@H]1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)C[C@H]1C
InChIInChI=1S/C20H24O2/c1-14-11-12-20(13-15(14)2,16-3-7-18(21)8-4-16)17-5-9-19(22)10-6-17/h3-10,14-15,21-22H,11-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyQAEBSMAVRBTOHB-HUUCEWRRSA-N
MW296.41 g/mol
LogP4.84
Rot. Bonds2

About 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol

4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol (PubChem CID 2303370) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
PubChem CID2303370
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
SMILESC[C@@H]1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)C[C@H]1C
InChIInChI=1S/C20H24O2/c1-14-11-12-20(13-15(14)2,16-3-7-18(21)8-4-16)17-5-9-19(22)10-6-17/h3-10,14-15,21-22H,11-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyQAEBSMAVRBTOHB-HUUCEWRRSA-N
XLogP4.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
Estradiol
CID 5757
Diethylstilbestrol
CID 448537
alpha-Estradiol
CID 68570
Bisphenol A
CID 6623
Dienestrol
CID 667476
4-tert-Butylphenol
CID 7393
Magnolol
CID 72300
Hexestrol
CID 192197
2,4-Di-tert-butylphenol
CID 7311
4-Tert-octylphenol
CID 8814
Masoprocol
CID 71398

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol?
The IUPAC name of 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol (CID 2303370) is 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol.
What is the SMILES notation for 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol?
The canonical SMILES for 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol is C[C@@H]1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)C[C@H]1C.
What is the InChIKey of 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol?
The InChIKey is QAEBSMAVRBTOHB-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H24O2/c1-14-11-12-20(13-15(14)2,16-3-7-18(21)8-4-16)17-5-9-19(22)10-6-17/h3-10,14-15,21-22H,11-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol?
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol is sourced from PubChem (CID 2303370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).