(3S,4S)-3-phenylocta-1,7-dien-4-ol

C14H18O — CID 101442843

IUPAC(3S,4S)-3-phenylocta-1,7-dien-4-ol
SMILESC=CCC[C@H](O)[C@@H](C=C)c1ccccc1
InChIInChI=1S/C14H18O/c1-3-5-11-14(15)13(4-2)12-9-7-6-8-10-12/h3-4,6-10,13-15H,1-2,5,11H2/t13-,14-/m0/s1
InChIKeyKLIQIVYCWSZGFR-KBPBESRZSA-N
MW202.30 g/mol
LogP3.28
Rot. Bonds6

About (3S,4S)-3-phenylocta-1,7-dien-4-ol

(3S,4S)-3-phenylocta-1,7-dien-4-ol (PubChem CID 101442843) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3S,4S)-3-phenylocta-1,7-dien-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-phenylocta-1,7-dien-4-ol
PubChem CID101442843
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3S,4S)-3-phenylocta-1,7-dien-4-ol
SMILESC=CCC[C@H](O)[C@@H](C=C)c1ccccc1
InChIInChI=1S/C14H18O/c1-3-5-11-14(15)13(4-2)12-9-7-6-8-10-12/h3-4,6-10,13-15H,1-2,5,11H2/t13-,14-/m0/s1
InChIKeyKLIQIVYCWSZGFR-KBPBESRZSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.28
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

2-Phenylethanol
CID 6054
1-Phenylethanol
CID 7409
Cuminol
CID 325
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
1-Phenyl-1,2-ethanediol
CID 7149
2-Methyl-1-phenyl-2-propanol
CID 7531
alpha-(2-Methylpropyl)benzeneethanol
CID 62661

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-phenylocta-1,7-dien-4-ol?
The IUPAC name of (3S,4S)-3-phenylocta-1,7-dien-4-ol (CID 101442843) is (3S,4S)-3-phenylocta-1,7-dien-4-ol.
What is the SMILES notation for (3S,4S)-3-phenylocta-1,7-dien-4-ol?
The canonical SMILES for (3S,4S)-3-phenylocta-1,7-dien-4-ol is C=CCC[C@H](O)[C@@H](C=C)c1ccccc1.
What is the InChIKey of (3S,4S)-3-phenylocta-1,7-dien-4-ol?
The InChIKey is KLIQIVYCWSZGFR-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18O/c1-3-5-11-14(15)13(4-2)12-9-7-6-8-10-12/h3-4,6-10,13-15H,1-2,5,11H2/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-3-phenylocta-1,7-dien-4-ol?
(3S,4S)-3-phenylocta-1,7-dien-4-ol has a molecular weight of 202.30 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-phenylocta-1,7-dien-4-ol is sourced from PubChem (CID 101442843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).