7-phenylheptan-3-ol

C13H20O — CID 10943339

IUPAC7-phenylheptan-3-ol
SMILESCCC(O)CCCCc1ccccc1
InChIInChI=1S/C13H20O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeyFGGCAMZUJUBLJM-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.17
Rot. Bonds6

About 7-phenylheptan-3-ol

7-phenylheptan-3-ol (PubChem CID 10943339) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 7-phenylheptan-3-ol.

Molecular Properties

Compound Name7-phenylheptan-3-ol
PubChem CID10943339
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name7-phenylheptan-3-ol
SMILESCCC(O)CCCCc1ccccc1
InChIInChI=1S/C13H20O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeyFGGCAMZUJUBLJM-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylethanol
CID 6054
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Benzenepropanol
CID 31234
1-Phenyl-3-methyl-3-pentanol
CID 61516
Benzhydrol
CID 7037
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
2-Phenyl-1-propanol
CID 14295

Frequently Asked Questions

What is the IUPAC name of 7-phenylheptan-3-ol?
The IUPAC name of 7-phenylheptan-3-ol (CID 10943339) is 7-phenylheptan-3-ol.
What is the SMILES notation for 7-phenylheptan-3-ol?
The canonical SMILES for 7-phenylheptan-3-ol is CCC(O)CCCCc1ccccc1.
What is the InChIKey of 7-phenylheptan-3-ol?
The InChIKey is FGGCAMZUJUBLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3.
What are the key properties of 7-phenylheptan-3-ol?
7-phenylheptan-3-ol has a molecular weight of 192.30 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylheptan-3-ol is sourced from PubChem (CID 10943339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).