2-methyl-6-phenylhex-3-en-2-ol

C13H18O — CID 73102528

IUPAC2-methyl-6-phenylhex-3-en-2-ol
SMILESCC(C)(O)C=CCCc1ccccc1
InChIInChI=1S/C13H18O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11,14H,6,10H2,1-2H3
InChIKeyZHLWCPCOLRSCPK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-6-phenylhex-3-en-2-ol

2-methyl-6-phenylhex-3-en-2-ol (PubChem CID 73102528) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-6-phenylhex-3-en-2-ol.

Molecular Properties

Compound Name2-methyl-6-phenylhex-3-en-2-ol
PubChem CID73102528
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-methyl-6-phenylhex-3-en-2-ol
SMILESCC(C)(O)C=CCCc1ccccc1
InChIInChI=1S/C13H18O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11,14H,6,10H2,1-2H3
InChIKeyZHLWCPCOLRSCPK-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
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

[(E)-5,5-dimethoxyhex-3-enyl]benzene
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pent-3-enylbenzene
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[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
CID 134879348
tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane
CID 102572986
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
7-phenylhepta-2,4-dien-1-ol
CID 123622539
hepta-3,5-dienylbenzene
CID 54230830
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
ethyl (E)-3-hydroxy-3-methyl-7-(4-phenylmethoxyphenyl)hept-4-enoate
CID 23466040
but-3-enylbenzene;silver
CID 174999453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylhex-3-en-2-ol?
The IUPAC name of 2-methyl-6-phenylhex-3-en-2-ol (CID 73102528) is 2-methyl-6-phenylhex-3-en-2-ol.
What is the SMILES notation for 2-methyl-6-phenylhex-3-en-2-ol?
The canonical SMILES for 2-methyl-6-phenylhex-3-en-2-ol is CC(C)(O)C=CCCc1ccccc1.
What is the InChIKey of 2-methyl-6-phenylhex-3-en-2-ol?
The InChIKey is ZHLWCPCOLRSCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11,14H,6,10H2,1-2H3.
What are the key properties of 2-methyl-6-phenylhex-3-en-2-ol?
2-methyl-6-phenylhex-3-en-2-ol has a molecular weight of 190.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylhex-3-en-2-ol is sourced from PubChem (CID 73102528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).