(Z)-3-chloro-7-phenylhept-2-en-1-ol

C13H17ClO — CID 11138792

IUPAC(Z)-3-chloro-7-phenylhept-2-en-1-ol
SMILESOC/C=C(\Cl)CCCCc1ccccc1
InChIInChI=1S/C13H17ClO/c14-13(10-11-15)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10,15H,4-5,8-9,11H2/b13-10-
InChIKeyAPQXZXBYQNVNNR-RAXLEYEMSA-N
MW224.73 g/mol
LogP3.51
Rot. Bonds6

About (Z)-3-chloro-7-phenylhept-2-en-1-ol

(Z)-3-chloro-7-phenylhept-2-en-1-ol (PubChem CID 11138792) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is (Z)-3-chloro-7-phenylhept-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-chloro-7-phenylhept-2-en-1-ol
PubChem CID11138792
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name(Z)-3-chloro-7-phenylhept-2-en-1-ol
SMILESOC/C=C(\Cl)CCCCc1ccccc1
InChIInChI=1S/C13H17ClO/c14-13(10-11-15)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10,15H,4-5,8-9,11H2/b13-10-
InChIKeyAPQXZXBYQNVNNR-RAXLEYEMSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutylbenzene
CID 141301927
[(Z)-2-chloro-5-phenylpent-1-enyl]-phenyliodanium
CID 10790533
1,9-diphenylnonan-5-one
CID 23467830
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
15-phenylpentadecanoic acid
CID 2737151
4-phenylbutanoyl chloride
CID 11789865
(E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium
CID 11447008
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
[4-[(6-phenylhexanoylamino)methyl]phenyl]boronic acid
CID 127027217
N-methyl-9-phenylnonanamide
CID 118028570

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-7-phenylhept-2-en-1-ol?
The IUPAC name of (Z)-3-chloro-7-phenylhept-2-en-1-ol (CID 11138792) is (Z)-3-chloro-7-phenylhept-2-en-1-ol.
What is the SMILES notation for (Z)-3-chloro-7-phenylhept-2-en-1-ol?
The canonical SMILES for (Z)-3-chloro-7-phenylhept-2-en-1-ol is OC/C=C(\Cl)CCCCc1ccccc1.
What is the InChIKey of (Z)-3-chloro-7-phenylhept-2-en-1-ol?
The InChIKey is APQXZXBYQNVNNR-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H17ClO/c14-13(10-11-15)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10,15H,4-5,8-9,11H2/b13-10-.
What are the key properties of (Z)-3-chloro-7-phenylhept-2-en-1-ol?
(Z)-3-chloro-7-phenylhept-2-en-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-7-phenylhept-2-en-1-ol is sourced from PubChem (CID 11138792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).