(E,3S)-1-phenylhept-1-en-3-ol

C13H18O — CID 10943285

IUPAC(E,3S)-1-phenylhept-1-en-3-ol
SMILESCCCC[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C13H18O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,10-11,13-14H,2-3,9H2,1H3/b11-10+/t13-/m0/s1
InChIKeyAOVMABJRZUKJSI-NHAQELONSA-N
MW190.29 g/mol
LogP3.25
Rot. Bonds5

About (E,3S)-1-phenylhept-1-en-3-ol

(E,3S)-1-phenylhept-1-en-3-ol (PubChem CID 10943285) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (E,3S)-1-phenylhept-1-en-3-ol.

Molecular Properties

Compound Name(E,3S)-1-phenylhept-1-en-3-ol
PubChem CID10943285
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(E,3S)-1-phenylhept-1-en-3-ol
SMILESCCCC[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C13H18O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,10-11,13-14H,2-3,9H2,1H3/b11-10+/t13-/m0/s1
InChIKeyAOVMABJRZUKJSI-NHAQELONSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-phenylhept-1-en-3-ol?
The IUPAC name of (E,3S)-1-phenylhept-1-en-3-ol (CID 10943285) is (E,3S)-1-phenylhept-1-en-3-ol.
What is the SMILES notation for (E,3S)-1-phenylhept-1-en-3-ol?
The canonical SMILES for (E,3S)-1-phenylhept-1-en-3-ol is CCCC[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,3S)-1-phenylhept-1-en-3-ol?
The InChIKey is AOVMABJRZUKJSI-NHAQELONSA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,10-11,13-14H,2-3,9H2,1H3/b11-10+/t13-/m0/s1.
What are the key properties of (E,3S)-1-phenylhept-1-en-3-ol?
(E,3S)-1-phenylhept-1-en-3-ol has a molecular weight of 190.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-phenylhept-1-en-3-ol is sourced from PubChem (CID 10943285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).