7-(4-chlorophenyl)oct-7-en-4-ol

C14H19ClO — CID 13235819

IUPAC7-(4-chlorophenyl)oct-7-en-4-ol
SMILESC=C(CCC(O)CCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO/c1-3-4-14(16)10-5-11(2)12-6-8-13(15)9-7-12/h6-9,14,16H,2-5,10H2,1H3
InChIKeyCLXDXKLSVUBODT-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.29
Rot. Bonds6

About 7-(4-chlorophenyl)oct-7-en-4-ol

7-(4-chlorophenyl)oct-7-en-4-ol (PubChem CID 13235819) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 7-(4-chlorophenyl)oct-7-en-4-ol.

Molecular Properties

Compound Name7-(4-chlorophenyl)oct-7-en-4-ol
PubChem CID13235819
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name7-(4-chlorophenyl)oct-7-en-4-ol
SMILESC=C(CCC(O)CCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO/c1-3-4-14(16)10-5-11(2)12-6-8-13(15)9-7-12/h6-9,14,16H,2-5,10H2,1H3
InChIKeyCLXDXKLSVUBODT-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-bromoprop-1-en-2-yl)-4-chlorobenzene
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1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
1-(4-chlorophenyl)pentane-1,2-diol
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1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol
CID 105127338
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
2-(4-chlorophenyl)hexan-3-ol
CID 83051446
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
pent-1-en-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)oct-7-en-4-ol?
The IUPAC name of 7-(4-chlorophenyl)oct-7-en-4-ol (CID 13235819) is 7-(4-chlorophenyl)oct-7-en-4-ol.
What is the SMILES notation for 7-(4-chlorophenyl)oct-7-en-4-ol?
The canonical SMILES for 7-(4-chlorophenyl)oct-7-en-4-ol is C=C(CCC(O)CCC)c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)oct-7-en-4-ol?
The InChIKey is CLXDXKLSVUBODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-3-4-14(16)10-5-11(2)12-6-8-13(15)9-7-12/h6-9,14,16H,2-5,10H2,1H3.
What are the key properties of 7-(4-chlorophenyl)oct-7-en-4-ol?
7-(4-chlorophenyl)oct-7-en-4-ol has a molecular weight of 238.76 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)oct-7-en-4-ol is sourced from PubChem (CID 13235819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).