3-phenylhexa-1,5-dien-2-ol

C12H14O — CID 173444348

IUPAC3-phenylhexa-1,5-dien-2-ol
SMILESC=CCC(C(=C)O)c1ccccc1
InChIInChI=1S/C12H14O/c1-3-7-12(10(2)13)11-8-5-4-6-9-11/h3-6,8-9,12-13H,1-2,7H2
InChIKeyLBJIKHHRHSADMP-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.42
Rot. Bonds4

About 3-phenylhexa-1,5-dien-2-ol

3-phenylhexa-1,5-dien-2-ol (PubChem CID 173444348) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-phenylhexa-1,5-dien-2-ol.

Molecular Properties

Compound Name3-phenylhexa-1,5-dien-2-ol
PubChem CID173444348
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-phenylhexa-1,5-dien-2-ol
SMILESC=CCC(C(=C)O)c1ccccc1
InChIInChI=1S/C12H14O/c1-3-7-12(10(2)13)11-8-5-4-6-9-11/h3-6,8-9,12-13H,1-2,7H2
InChIKeyLBJIKHHRHSADMP-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N,N-dimethyl-2-phenylpent-4-eneselenoamide
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2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone
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(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
(1-ethenyl-2-phenylpent-4-enyl)benzene
CID 175560840
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
2-phenyl-1-propylsulfanylpent-4-ene-1-selone
CID 11066415
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
ethyl 3-oxo-4-phenylhept-6-enoate
CID 11746930

Frequently Asked Questions

What is the IUPAC name of 3-phenylhexa-1,5-dien-2-ol?
The IUPAC name of 3-phenylhexa-1,5-dien-2-ol (CID 173444348) is 3-phenylhexa-1,5-dien-2-ol.
What is the SMILES notation for 3-phenylhexa-1,5-dien-2-ol?
The canonical SMILES for 3-phenylhexa-1,5-dien-2-ol is C=CCC(C(=C)O)c1ccccc1.
What is the InChIKey of 3-phenylhexa-1,5-dien-2-ol?
The InChIKey is LBJIKHHRHSADMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-7-12(10(2)13)11-8-5-4-6-9-11/h3-6,8-9,12-13H,1-2,7H2.
What are the key properties of 3-phenylhexa-1,5-dien-2-ol?
3-phenylhexa-1,5-dien-2-ol has a molecular weight of 174.24 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylhexa-1,5-dien-2-ol is sourced from PubChem (CID 173444348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).