cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone

C14H14O3 — CID 168888121

IUPACcyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=CCCC=C2)c(O)c1
InChIInChI=1S/C14H14O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h3,5-9,15H,2,4H2,1H3
InChIKeyDUPCPUBDYUPSIO-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.86
Rot. Bonds3

About cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone

cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone (PubChem CID 168888121) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone
PubChem CID168888121
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namecyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=CCCC=C2)c(O)c1
InChIInChI=1S/C14H14O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h3,5-9,15H,2,4H2,1H3
InChIKeyDUPCPUBDYUPSIO-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
CID 175499515
CID 175499515
CID 172864174
CID 172864174
(8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 142741662
sodium 4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonate
CID 23678865
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
disodium;hydride;4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonic acid
CID 173197919
[4-(2-hydroxybenzoyl)phenyl] cyclohexa-1,5-diene-1-carboxylate
CID 89324532
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone (CID 168888121) is cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2=CCCC=C2)c(O)c1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is DUPCPUBDYUPSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h3,5-9,15H,2,4H2,1H3.
What are the key properties of cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone?
cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 230.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 168888121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).