9-(3,4-dichlorophenyl)-3-methylnonan-3-ol

C16H24Cl2O — CID 22760127

IUPAC9-(3,4-dichlorophenyl)-3-methylnonan-3-ol
SMILESCCC(C)(O)CCCCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H24Cl2O/c1-3-16(2,19)11-7-5-4-6-8-13-9-10-14(17)15(18)12-13/h9-10,12,19H,3-8,11H2,1-2H3
InChIKeyYHDREHSGPPQCMQ-UHFFFAOYSA-N
MW303.27 g/mol
LogP5.65
Rot. Bonds8

About 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol

9-(3,4-dichlorophenyl)-3-methylnonan-3-ol (PubChem CID 22760127) has the molecular formula C16H24Cl2O and a molecular weight of 303.27 g/mol. Its IUPAC name is 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol.

Molecular Properties

Compound Name9-(3,4-dichlorophenyl)-3-methylnonan-3-ol
PubChem CID22760127
Molecular FormulaC16H24Cl2O
Molecular Weight303.27 g/mol
Exact Mass302.12
IUPAC Name9-(3,4-dichlorophenyl)-3-methylnonan-3-ol
SMILESCCC(C)(O)CCCCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H24Cl2O/c1-3-16(2,19)11-7-5-4-6-8-13-9-10-14(17)15(18)12-13/h9-10,12,19H,3-8,11H2,1-2H3
InChIKeyYHDREHSGPPQCMQ-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.27
LogP ≤ 55.65
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 138516209
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CID 63680596
4-(7-tert-butylsulfonylheptyl)-1,2-dichlorobenzene
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13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
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CID 65308866
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CID 43446941
12-[4-(10,10-dihydroxydodecyl)phenyl]dodecane-3,3-diol
CID 150548684
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
1,2-dichloro-4-(3-methylbut-3-enyl)benzene
CID 24722016
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65308819

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol?
The IUPAC name of 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol (CID 22760127) is 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol.
What is the SMILES notation for 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol?
The canonical SMILES for 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol is CCC(C)(O)CCCCCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol?
The InChIKey is YHDREHSGPPQCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2O/c1-3-16(2,19)11-7-5-4-6-8-13-9-10-14(17)15(18)12-13/h9-10,12,19H,3-8,11H2,1-2H3.
What are the key properties of 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol?
9-(3,4-dichlorophenyl)-3-methylnonan-3-ol has a molecular weight of 303.27 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dichlorophenyl)-3-methylnonan-3-ol is sourced from PubChem (CID 22760127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).