(Z)-4-chloro-1-phenyltridec-3-en-5-ol

C19H29ClO — CID 11185938

IUPAC(Z)-4-chloro-1-phenyltridec-3-en-5-ol
SMILESCCCCCCCCC(O)/C(Cl)=C/CCc1ccccc1
InChIInChI=1S/C19H29ClO/c1-2-3-4-5-6-10-16-19(21)18(20)15-11-14-17-12-8-7-9-13-17/h7-9,12-13,15,19,21H,2-6,10-11,14,16H2,1H3/b18-15-
InChIKeyXJOJHFPVIHGMIL-SDXDJHTJSA-N
MW308.89 g/mol
LogP5.85
Rot. Bonds11

About (Z)-4-chloro-1-phenyltridec-3-en-5-ol

(Z)-4-chloro-1-phenyltridec-3-en-5-ol (PubChem CID 11185938) has the molecular formula C19H29ClO and a molecular weight of 308.89 g/mol. Its IUPAC name is (Z)-4-chloro-1-phenyltridec-3-en-5-ol.

Molecular Properties

Compound Name(Z)-4-chloro-1-phenyltridec-3-en-5-ol
PubChem CID11185938
Molecular FormulaC19H29ClO
Molecular Weight308.89 g/mol
Exact Mass308.19
IUPAC Name(Z)-4-chloro-1-phenyltridec-3-en-5-ol
SMILESCCCCCCCCC(O)/C(Cl)=C/CCc1ccccc1
InChIInChI=1S/C19H29ClO/c1-2-3-4-5-6-10-16-19(21)18(20)15-11-14-17-12-8-7-9-13-17/h7-9,12-13,15,19,21H,2-6,10-11,14,16H2,1H3/b18-15-
InChIKeyXJOJHFPVIHGMIL-SDXDJHTJSA-N
XLogP5.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.89
LogP ≤ 55.85
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

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CID 90001206
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CID 98091747
4-chloropent-3-enylbenzene
CID 71383765
(E)-1-phenyldodec-5-en-3-ol
CID 15370002
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
(E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol
CID 10426371

Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-1-phenyltridec-3-en-5-ol?
The IUPAC name of (Z)-4-chloro-1-phenyltridec-3-en-5-ol (CID 11185938) is (Z)-4-chloro-1-phenyltridec-3-en-5-ol.
What is the SMILES notation for (Z)-4-chloro-1-phenyltridec-3-en-5-ol?
The canonical SMILES for (Z)-4-chloro-1-phenyltridec-3-en-5-ol is CCCCCCCCC(O)/C(Cl)=C/CCc1ccccc1.
What is the InChIKey of (Z)-4-chloro-1-phenyltridec-3-en-5-ol?
The InChIKey is XJOJHFPVIHGMIL-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H29ClO/c1-2-3-4-5-6-10-16-19(21)18(20)15-11-14-17-12-8-7-9-13-17/h7-9,12-13,15,19,21H,2-6,10-11,14,16H2,1H3/b18-15-.
What are the key properties of (Z)-4-chloro-1-phenyltridec-3-en-5-ol?
(Z)-4-chloro-1-phenyltridec-3-en-5-ol has a molecular weight of 308.89 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-1-phenyltridec-3-en-5-ol is sourced from PubChem (CID 11185938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).