2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol

C20H20O2 — CID 68961421

IUPAC2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol
SMILESCCc1cc(C2=CCC(c3ccc(O)cc3)=CC2)ccc1O
InChIInChI=1S/C20H20O2/c1-2-14-13-18(9-12-20(14)22)17-5-3-15(4-6-17)16-7-10-19(21)11-8-16/h3,6-13,21-22H,2,4-5H2,1H3
InChIKeyBZRAMFXXVRBGKW-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.92
Rot. Bonds3

About 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol

2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol (PubChem CID 68961421) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol.

Molecular Properties

Compound Name2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol
PubChem CID68961421
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol
SMILESCCc1cc(C2=CCC(c3ccc(O)cc3)=CC2)ccc1O
InChIInChI=1S/C20H20O2/c1-2-14-13-18(9-12-20(14)22)17-5-3-15(4-6-17)16-7-10-19(21)11-8-16/h3,6-13,21-22H,2,4-5H2,1H3
InChIKeyBZRAMFXXVRBGKW-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,4-Di-tert-butylphenol
CID 7311

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol?
The IUPAC name of 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol (CID 68961421) is 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol.
What is the SMILES notation for 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol?
The canonical SMILES for 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol is CCc1cc(C2=CCC(c3ccc(O)cc3)=CC2)ccc1O.
What is the InChIKey of 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol?
The InChIKey is BZRAMFXXVRBGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-14-13-18(9-12-20(14)22)17-5-3-15(4-6-17)16-7-10-19(21)11-8-16/h3,6-13,21-22H,2,4-5H2,1H3.
What are the key properties of 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol?
2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol has a molecular weight of 292.38 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol is sourced from PubChem (CID 68961421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).