2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol

C15H23ClO2 — CID 106459475

IUPAC2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
SMILESCC(C)COCCC(CO)Cc1ccccc1Cl
InChIInChI=1S/C15H23ClO2/c1-12(2)11-18-8-7-13(10-17)9-14-5-3-4-6-15(14)16/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyQQNLOMZFMKVIDA-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.55
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol

2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol (PubChem CID 106459475) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
PubChem CID106459475
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
SMILESCC(C)COCCC(CO)Cc1ccccc1Cl
InChIInChI=1S/C15H23ClO2/c1-12(2)11-18-8-7-13(10-17)9-14-5-3-4-6-15(14)16/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyQQNLOMZFMKVIDA-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene
CID 91692886
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol
CID 66058467
2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol
CID 116500248
2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62515635
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 62515455
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-propoxybutan-1-amine
CID 106456746
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759
N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762
2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66058492
1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
CID 142784737

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol (CID 106459475) is 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol is CC(C)COCCC(CO)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol?
The InChIKey is QQNLOMZFMKVIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-12(2)11-18-8-7-13(10-17)9-14-5-3-4-6-15(14)16/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol?
2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol has a molecular weight of 270.80 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol is sourced from PubChem (CID 106459475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).