2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol

C14H16O3 — CID 175298716

IUPAC2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol
SMILESCOC1=C(O)C=CC(OC)(c2ccccc2)C1
InChIInChI=1S/C14H16O3/c1-16-13-10-14(17-2,9-8-12(13)15)11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3
InChIKeyPOKSQKYCJMRNGO-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.90
Rot. Bonds3

About 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol

2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol (PubChem CID 175298716) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol
PubChem CID175298716
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol
SMILESCOC1=C(O)C=CC(OC)(c2ccccc2)C1
InChIInChI=1S/C14H16O3/c1-16-13-10-14(17-2,9-8-12(13)15)11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3
InChIKeyPOKSQKYCJMRNGO-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-4-phenylcyclohexa-1,5-diene-1-carboxylic acid
CID 152749301
4,4-diamino-2-phenylcyclohexa-1,5-dien-1-ol
CID 174844200
2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
CID 174564600
(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate
CID 7075753
1-methoxy-4-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 175187792
anisole;guanidine
CID 172735542
(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene
CID 10591514
methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate
CID 70205985
(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylic acid
CID 7075754
4,5-dimethoxy-3-methyl-1-phenyl-2H-naphthalen-1-ol
CID 12021667
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
methoxymethane;phenol
CID 18763564

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol (CID 175298716) is 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol is COC1=C(O)C=CC(OC)(c2ccccc2)C1.
What is the InChIKey of 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol?
The InChIKey is POKSQKYCJMRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-16-13-10-14(17-2,9-8-12(13)15)11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3.
What are the key properties of 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol?
2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol has a molecular weight of 232.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-4-phenylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 175298716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).