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

C15H23ClO2 — CID 66058003

IUPAC4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
SMILESCCCCOCCC(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO2/c1-2-3-9-18-10-8-14(12-17)11-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyYWDBYORSGDNTJC-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.70
Rot. Bonds9

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

4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol (PubChem CID 66058003) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
PubChem CID66058003
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
SMILESCCCCOCCC(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO2/c1-2-3-9-18-10-8-14(12-17)11-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyYWDBYORSGDNTJC-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.70
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

2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989
4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 66058011
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
2-[(4-chlorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734361
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol
CID 104568624
3-[(4-chlorophenyl)methyl]hexan-1-ol
CID 143267872
2-[(3-chlorophenyl)methyl]-4-(3-methylbutoxy)butan-1-ol
CID 66058445
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62515207
2-[(4-bromophenyl)methyl]hexan-1-ol
CID 66059467
1-chloro-4-[2-(chloromethyl)octyl]benzene
CID 66034614
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol?
The IUPAC name of 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol (CID 66058003) is 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol.
What is the SMILES notation for 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol?
The canonical SMILES for 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol is CCCCOCCC(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol?
The InChIKey is YWDBYORSGDNTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-2-3-9-18-10-8-14(12-17)11-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3.
What are the key properties of 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol?
4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol has a molecular weight of 270.80 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol is sourced from PubChem (CID 66058003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).