1-[3-(2-methylpropyl)phenyl]nonan-1-ol

C19H32O — CID 115838202

IUPAC1-[3-(2-methylpropyl)phenyl]nonan-1-ol
SMILESCCCCCCCCC(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C19H32O/c1-4-5-6-7-8-9-13-19(20)18-12-10-11-17(15-18)14-16(2)3/h10-12,15-16,19-20H,4-9,13-14H2,1-3H3
InChIKeyMHCUDYLAEURSEX-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.67
Rot. Bonds10

About 1-[3-(2-methylpropyl)phenyl]nonan-1-ol

1-[3-(2-methylpropyl)phenyl]nonan-1-ol (PubChem CID 115838202) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]nonan-1-ol.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)phenyl]nonan-1-ol
PubChem CID115838202
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-[3-(2-methylpropyl)phenyl]nonan-1-ol
SMILESCCCCCCCCC(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C19H32O/c1-4-5-6-7-8-9-13-19(20)18-12-10-11-17(15-18)14-16(2)3/h10-12,15-16,19-20H,4-9,13-14H2,1-3H3
InChIKeyMHCUDYLAEURSEX-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.67
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-[3-(2-methylpropyl)phenyl]nonylhydrazine
CID 105340725
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
1-(3-methylphenyl)decan-1-ol
CID 63411280
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
1-(3-butylphenyl)butan-1-ol
CID 158563510
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
1-decan-2-yl-3-ethylbenzene
CID 123801933
3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
methyl 2-[3-(2-methylpropyl)phenyl]hexanoate
CID 116545509
1-decan-2-yl-3-octylbenzene
CID 173491759

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)phenyl]nonan-1-ol?
The IUPAC name of 1-[3-(2-methylpropyl)phenyl]nonan-1-ol (CID 115838202) is 1-[3-(2-methylpropyl)phenyl]nonan-1-ol.
What is the SMILES notation for 1-[3-(2-methylpropyl)phenyl]nonan-1-ol?
The canonical SMILES for 1-[3-(2-methylpropyl)phenyl]nonan-1-ol is CCCCCCCCC(O)c1cccc(CC(C)C)c1.
What is the InChIKey of 1-[3-(2-methylpropyl)phenyl]nonan-1-ol?
The InChIKey is MHCUDYLAEURSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-4-5-6-7-8-9-13-19(20)18-12-10-11-17(15-18)14-16(2)3/h10-12,15-16,19-20H,4-9,13-14H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)phenyl]nonan-1-ol?
1-[3-(2-methylpropyl)phenyl]nonan-1-ol has a molecular weight of 276.46 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)phenyl]nonan-1-ol is sourced from PubChem (CID 115838202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).