4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one

C19H14O3 — CID 5100

IUPAC4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1
InChIInChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H
InChIKeyFYEHYMARPSSOBO-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.59
Rot. Bonds2

About 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one

4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one (PubChem CID 5100) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
PubChem CID5100
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1
InChIInChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H
InChIKeyFYEHYMARPSSOBO-UHFFFAOYSA-N
XLogP3.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
4,4'-Dihydroxybiphenyl
CID 7112
Bisphenol B
CID 66166
P-Coumaric Acid
CID 637542
Bis(4-hydroxyphenyl)methane
CID 12111
4-Cumylphenol
CID 11742

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one (CID 5100) is 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one is O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1.
What is the InChIKey of 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is FYEHYMARPSSOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H.
What are the key properties of 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one?
4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 290.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 5100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).