1-(4-chloronaphthalen-1-yl)nonan-1-ol

C19H25ClO — CID 79592377

IUPAC1-(4-chloronaphthalen-1-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H25ClO/c1-2-3-4-5-6-7-12-19(21)17-13-14-18(20)16-11-9-8-10-15(16)17/h8-11,13-14,19,21H,2-7,12H2,1H3
InChIKeyRSZPVTXTSSHFPR-UHFFFAOYSA-N
MW304.86 g/mol
LogP6.28
Rot. Bonds8

About 1-(4-chloronaphthalen-1-yl)nonan-1-ol

1-(4-chloronaphthalen-1-yl)nonan-1-ol (PubChem CID 79592377) has the molecular formula C19H25ClO and a molecular weight of 304.86 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)nonan-1-ol
PubChem CID79592377
Molecular FormulaC19H25ClO
Molecular Weight304.86 g/mol
Exact Mass304.16
IUPAC Name1-(4-chloronaphthalen-1-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H25ClO/c1-2-3-4-5-6-7-12-19(21)17-13-14-18(20)16-11-9-8-10-15(16)17/h8-11,13-14,19,21H,2-7,12H2,1H3
InChIKeyRSZPVTXTSSHFPR-UHFFFAOYSA-N
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.86
LogP ≤ 56.28
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

1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
CID 79591637
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
CID 3246100
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(4-amino-2-chlorophenyl)octan-1-ol
CID 112736197
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
1-(2-methylsulfanylphenyl)heptan-1-ol
CID 115783455
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
(1R)-1-phenyloctan-1-ol
CID 12794259

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)nonan-1-ol?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)nonan-1-ol (CID 79592377) is 1-(4-chloronaphthalen-1-yl)nonan-1-ol.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)nonan-1-ol?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)nonan-1-ol is CCCCCCCCC(O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)nonan-1-ol?
The InChIKey is RSZPVTXTSSHFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClO/c1-2-3-4-5-6-7-12-19(21)17-13-14-18(20)16-11-9-8-10-15(16)17/h8-11,13-14,19,21H,2-7,12H2,1H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)nonan-1-ol?
1-(4-chloronaphthalen-1-yl)nonan-1-ol has a molecular weight of 304.86 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)nonan-1-ol is sourced from PubChem (CID 79592377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).