(3S)-3-benzylheptan-1-ol

C14H22O — CID 15214037

IUPAC(3S)-3-benzylheptan-1-ol
SMILESCCCCC(CCO)Cc1ccccc1
InChIInChI=1S/C14H22O/c1-2-3-7-14(10-11-15)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3
InChIKeyJOKOUQJODZVDJH-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds7

About (3S)-3-benzylheptan-1-ol

(3S)-3-benzylheptan-1-ol (PubChem CID 15214037) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (3S)-3-benzylheptan-1-ol.

Molecular Properties

Compound Name(3S)-3-benzylheptan-1-ol
PubChem CID15214037
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(3S)-3-benzylheptan-1-ol
SMILESCCCCC(CCO)Cc1ccccc1
InChIInChI=1S/C14H22O/c1-2-3-7-14(10-11-15)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3
InChIKeyJOKOUQJODZVDJH-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenylethanol
CID 6054
Cuminol
CID 325
Fenipentol
CID 3338
Benzenepropanol
CID 31234
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
Methyl phenethyl ether
CID 19089
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzylheptan-1-ol?
The IUPAC name of (3S)-3-benzylheptan-1-ol (CID 15214037) is (3S)-3-benzylheptan-1-ol.
What is the SMILES notation for (3S)-3-benzylheptan-1-ol?
The canonical SMILES for (3S)-3-benzylheptan-1-ol is CCCCC(CCO)Cc1ccccc1.
What is the InChIKey of (3S)-3-benzylheptan-1-ol?
The InChIKey is JOKOUQJODZVDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-2-3-7-14(10-11-15)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3.
What are the key properties of (3S)-3-benzylheptan-1-ol?
(3S)-3-benzylheptan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzylheptan-1-ol is sourced from PubChem (CID 15214037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).