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

C20H22O2 — CID 159421128

IUPACethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
SMILESCC.Oc1ccc(C2(c3ccc(O)cc3)C=CC=CC2)cc1
InChIInChI=1S/C18H16O2.C2H6/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-2/h1-12,19-20H,13H2;1-2H3
InChIKeyLPTXSFNAYMRYCQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.93
Rot. Bonds2

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

ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol (PubChem CID 159421128) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol.

Molecular Properties

Compound Nameethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
PubChem CID159421128
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Nameethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
SMILESCC.Oc1ccc(C2(c3ccc(O)cc3)C=CC=CC2)cc1
InChIInChI=1S/C18H16O2.C2H6/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-2/h1-12,19-20H,13H2;1-2H3
InChIKeyLPTXSFNAYMRYCQ-UHFFFAOYSA-N
XLogP4.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline
CID 141349985
4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene
CID 172762408
4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol
CID 174724938
[2-(1-phenylcyclohexa-2,4-dien-1-yl)phenyl]methanol
CID 155775169
4-[4-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 175202932
4-(1-aminocyclopent-3-en-1-yl)phenol
CID 115063014
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234682
2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol
CID 140983692
1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol
CID 19876171
4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol
CID 143506167
ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol
CID 143787682

Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol?
The IUPAC name of ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol (CID 159421128) is ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol.
What is the SMILES notation for ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol?
The canonical SMILES for ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol is CC.Oc1ccc(C2(c3ccc(O)cc3)C=CC=CC2)cc1.
What is the InChIKey of ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol?
The InChIKey is LPTXSFNAYMRYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2.C2H6/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-2/h1-12,19-20H,13H2;1-2H3.
What are the key properties of ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol?
ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol has a molecular weight of 294.39 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol is sourced from PubChem (CID 159421128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).