(3S,4S)-4-chloro-1-phenylhex-5-en-3-ol

C12H15ClO — CID 11063725

IUPAC(3S,4S)-4-chloro-1-phenylhex-5-en-3-ol
SMILESC=C[C@H](Cl)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C12H15ClO/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h2-7,11-12,14H,1,8-9H2/t11-,12-/m0/s1
InChIKeyIODJVDHRRQWGAN-RYUDHWBXSA-N
MW210.70 g/mol
LogP2.77
Rot. Bonds5

About (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol

(3S,4S)-4-chloro-1-phenylhex-5-en-3-ol (PubChem CID 11063725) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-chloro-1-phenylhex-5-en-3-ol
PubChem CID11063725
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name(3S,4S)-4-chloro-1-phenylhex-5-en-3-ol
SMILESC=C[C@H](Cl)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C12H15ClO/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h2-7,11-12,14H,1,8-9H2/t11-,12-/m0/s1
InChIKeyIODJVDHRRQWGAN-RYUDHWBXSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol?
The IUPAC name of (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol (CID 11063725) is (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol.
What is the SMILES notation for (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol?
The canonical SMILES for (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol is C=C[C@H](Cl)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol?
The InChIKey is IODJVDHRRQWGAN-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15ClO/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h2-7,11-12,14H,1,8-9H2/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol?
(3S,4S)-4-chloro-1-phenylhex-5-en-3-ol has a molecular weight of 210.70 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-chloro-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 11063725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).