2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol

C15H16O — CID 175574219

IUPAC2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
SMILESC=C(C)C1(O)CC=CC=C1c1ccccc1
InChIInChI=1S/C15H16O/c1-12(2)15(16)11-7-6-10-14(15)13-8-4-3-5-9-13/h3-10,16H,1,11H2,2H3
InChIKeyIHKNFQLVNSWSMK-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.34
Rot. Bonds2

About 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol

2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol (PubChem CID 175574219) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
PubChem CID175574219
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
SMILESC=C(C)C1(O)CC=CC=C1c1ccccc1
InChIInChI=1S/C15H16O/c1-12(2)15(16)11-7-6-10-14(15)13-8-4-3-5-9-13/h3-10,16H,1,11H2,2H3
InChIKeyIHKNFQLVNSWSMK-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.34
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-(methylamino)-2-phenylcyclohexa-2,4-dien-1-ol
CID 175545397
2-(1-hydroxy-2-phenylcyclohexa-2,4-dien-1-yl)phenol
CID 70208336
(1-methoxy-2-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 68649281
1-iodo-2-phenylcyclohexa-2,4-dien-1-amine
CID 175287153
1-methoxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70161917
1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 71317478
1,2-diphenylcyclohexa-2,4-dien-1-amine
CID 141027674
ethyl (1-hydroxy-2-phenylcyclohexa-2,4-dien-1-yl) carbonate
CID 174779093
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
N-[(1R)-1-(3-hydroxypropyl)-2-phenylcyclohexa-2,4-dien-1-yl]acetamide
CID 141425096
3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
CID 141425095
6,6-diisocyanato-1-phenylcyclohexa-1,3-diene
CID 87061261

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol (CID 175574219) is 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol is C=C(C)C1(O)CC=CC=C1c1ccccc1.
What is the InChIKey of 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is IHKNFQLVNSWSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-12(2)15(16)11-7-6-10-14(15)13-8-4-3-5-9-13/h3-10,16H,1,11H2,2H3.
What are the key properties of 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol?
2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 212.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175574219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).