6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one

C18H20O3 — CID 102513461

IUPAC6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one
SMILESCC/C(C1=CC(=O)C(O)C=C1)=C(/CC)c1ccc(O)cc1
InChIInChI=1S/C18H20O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,17,19-20H,3-4H2,1-2H3/b16-15+
InChIKeyOLJWJXNCOSABQZ-FOCLMDBBSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds4

About 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one

6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one (PubChem CID 102513461) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one
PubChem CID102513461
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one
SMILESCC/C(C1=CC(=O)C(O)C=C1)=C(/CC)c1ccc(O)cc1
InChIInChI=1S/C18H20O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,17,19-20H,3-4H2,1-2H3/b16-15+
InChIKeyOLJWJXNCOSABQZ-FOCLMDBBSA-N
XLogP3.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 448537
Dienestrol
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Tyrosol
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Bisdemethoxycurcumin
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CID 21648
Diethylstilbesterol
CID 3054
4-Hydroxycinnamaldehyde
CID 641301
(alphaR)-4-Hydroxy-alpha-methylbenzenepropanol
CID 919205
Aurin
CID 5100
Benzenemethanol, 4-hydroxy-alpha-methyl-
CID 102803
Rhododendrol, (+-)-
CID 97790
2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)-2,5-cyclohexadiene-1,4-dione
CID 99148

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one (CID 102513461) is 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one is CC/C(C1=CC(=O)C(O)C=C1)=C(/CC)c1ccc(O)cc1.
What is the InChIKey of 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one?
The InChIKey is OLJWJXNCOSABQZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,17,19-20H,3-4H2,1-2H3/b16-15+.
What are the key properties of 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one?
6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one has a molecular weight of 284.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 102513461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).