[3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol

C16H22O — CID 54407939

IUPAC[3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol
SMILESCC(C)=CCCC(C)=Cc1cccc(CO)c1
InChIInChI=1S/C16H22O/c1-13(2)6-4-7-14(3)10-15-8-5-9-16(11-15)12-17/h5-6,8-11,17H,4,7,12H2,1-3H3
InChIKeyVSBVOMZUVLZTRP-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.33
Rot. Bonds5

About [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol

[3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol (PubChem CID 54407939) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol
PubChem CID54407939
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name[3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol
SMILESCC(C)=CCCC(C)=Cc1cccc(CO)c1
InChIInChI=1S/C16H22O/c1-13(2)6-4-7-14(3)10-15-8-5-9-16(11-15)12-17/h5-6,8-11,17H,4,7,12H2,1-3H3
InChIKeyVSBVOMZUVLZTRP-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.33
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

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CID 7147
Fenipentol
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4-Methylbenzyl alcohol
CID 11505
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
[1,1'-Biphenyl]-3-methanol, 2-methyl-
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CID 10817

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol?
The IUPAC name of [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol (CID 54407939) is [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol.
What is the SMILES notation for [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol?
The canonical SMILES for [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol is CC(C)=CCCC(C)=Cc1cccc(CO)c1.
What is the InChIKey of [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol?
The InChIKey is VSBVOMZUVLZTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-13(2)6-4-7-14(3)10-15-8-5-9-16(11-15)12-17/h5-6,8-11,17H,4,7,12H2,1-3H3.
What are the key properties of [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol?
[3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol has a molecular weight of 230.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol is sourced from PubChem (CID 54407939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).