1-phenylheptan-3-ol

C13H20O — CID 10420110

IUPAC1-phenylheptan-3-ol
SMILESCCCCC(O)CCc1ccccc1
InChIInChI=1S/C13H20O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-11H2,1H3
InChIKeyROAOZBSINSZYOR-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.17
Rot. Bonds6

About 1-phenylheptan-3-ol

1-phenylheptan-3-ol (PubChem CID 10420110) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-phenylheptan-3-ol.

Molecular Properties

Compound Name1-phenylheptan-3-ol
PubChem CID10420110
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-phenylheptan-3-ol
SMILESCCCCC(O)CCc1ccccc1
InChIInChI=1S/C13H20O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-11H2,1H3
InChIKeyROAOZBSINSZYOR-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

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
(E)-1-phenyldodec-5-en-3-ol
CID 15370002
10-(4-anilinophenyl)decan-5-ol
CID 101298269
17-(4-anilinophenyl)heptadecan-5-ol
CID 101298360
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
1-(3-methylphenyl)nonan-3-ol
CID 105085389
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
1-pyridin-3-ylundecan-3-ol
CID 105085819

Frequently Asked Questions

What is the IUPAC name of 1-phenylheptan-3-ol?
The IUPAC name of 1-phenylheptan-3-ol (CID 10420110) is 1-phenylheptan-3-ol.
What is the SMILES notation for 1-phenylheptan-3-ol?
The canonical SMILES for 1-phenylheptan-3-ol is CCCCC(O)CCc1ccccc1.
What is the InChIKey of 1-phenylheptan-3-ol?
The InChIKey is ROAOZBSINSZYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-11H2,1H3.
What are the key properties of 1-phenylheptan-3-ol?
1-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 1-phenylheptan-3-ol is sourced from PubChem (CID 10420110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).