1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol

C14H14O — CID 174438236

IUPAC1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol
SMILESC=CC1(O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H14O/c1-2-14(15)10-8-13(9-11-14)12-6-4-3-5-7-12/h2-10,15H,1,11H2
InChIKeyUWBHZWJELQCHHZ-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.95
Rot. Bonds2

About 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol

1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 174438236) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol
PubChem CID174438236
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol
SMILESC=CC1(O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H14O/c1-2-14(15)10-8-13(9-11-14)12-6-4-3-5-7-12/h2-10,15H,1,11H2
InChIKeyUWBHZWJELQCHHZ-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 175013604
CID 172735714
CID 172735714
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 68743501
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481
1-amino-4-phenylcyclohexa-2,4-diene-1-sulfonic acid
CID 87891223
4-(4-phenylphenyl)-1-prop-2-enylcyclohexa-2,4-diene-1-carbonitrile
CID 67941375
prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate
CID 70364364
1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 142770895
2-(1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 170991718

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol (CID 174438236) is 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol is C=CC1(O)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is UWBHZWJELQCHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-2-14(15)10-8-13(9-11-14)12-6-4-3-5-7-12/h2-10,15H,1,11H2.
What are the key properties of 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol?
1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 198.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174438236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).