(1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol

C13H16O — CID 11159780

IUPAC(1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol
SMILESC=CCC(O)/C(C)=C/c1ccccc1
InChIInChI=1S/C13H16O/c1-3-7-13(14)11(2)10-12-8-5-4-6-9-12/h3-6,8-10,13-14H,1,7H2,2H3/b11-10+
InChIKeyBJWFWSDUVKVFLO-ZHACJKMWSA-N
MW188.27 g/mol
LogP3.03
Rot. Bonds4

About (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol

(1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol (PubChem CID 11159780) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol
PubChem CID11159780
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol
SMILESC=CCC(O)/C(C)=C/c1ccccc1
InChIInChI=1S/C13H16O/c1-3-7-13(14)11(2)10-12-8-5-4-6-9-12/h3-6,8-10,13-14H,1,7H2,2H3/b11-10+
InChIKeyBJWFWSDUVKVFLO-ZHACJKMWSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol?
The IUPAC name of (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol (CID 11159780) is (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol is C=CCC(O)/C(C)=C/c1ccccc1.
What is the InChIKey of (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol?
The InChIKey is BJWFWSDUVKVFLO-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H16O/c1-3-7-13(14)11(2)10-12-8-5-4-6-9-12/h3-6,8-10,13-14H,1,7H2,2H3/b11-10+.
What are the key properties of (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol?
(1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol has a molecular weight of 188.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methyl-1-phenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 11159780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).