(3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol

C14H18O — CID 102158712

IUPAC(3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol
SMILESC=C=C(CC)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C14H18O/c1-3-13(4-2)14(15)11-10-12-8-6-5-7-9-12/h5-9,14-15H,1,4,10-11H2,2H3/t14-/m0/s1
InChIKeyUKKSDCHOWRFJJJ-AWEZNQCLSA-N
MW202.30 g/mol
LogP3.10
Rot. Bonds5

About (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol

(3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol (PubChem CID 102158712) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name(3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol
PubChem CID102158712
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol
SMILESC=C=C(CC)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C14H18O/c1-3-13(4-2)14(15)11-10-12-8-6-5-7-9-12/h5-9,14-15H,1,4,10-11H2,2H3/t14-/m0/s1
InChIKeyUKKSDCHOWRFJJJ-AWEZNQCLSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol?
The IUPAC name of (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol (CID 102158712) is (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol.
What is the SMILES notation for (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol?
The canonical SMILES for (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol is C=C=C(CC)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol?
The InChIKey is UKKSDCHOWRFJJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18O/c1-3-13(4-2)14(15)11-10-12-8-6-5-7-9-12/h5-9,14-15H,1,4,10-11H2,2H3/t14-/m0/s1.
What are the key properties of (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol?
(3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol has a molecular weight of 202.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol is sourced from PubChem (CID 102158712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).