1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene

C17H19ClO — CID 103599968

IUPAC1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
SMILESCCC(C)c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClO/c1-3-13(2)15-7-9-17(10-8-15)19-12-14-5-4-6-16(18)11-14/h4-11,13H,3,12H2,1-2H3
InChIKeyCZCBIVFHGNGYQP-UHFFFAOYSA-N
MW274.79 g/mol
LogP5.43
Rot. Bonds5

About 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene

1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene (PubChem CID 103599968) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
PubChem CID103599968
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
SMILESCCC(C)c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClO/c1-3-13(2)15-7-9-17(10-8-15)19-12-14-5-4-6-16(18)11-14/h4-11,13H,3,12H2,1-2H3
InChIKeyCZCBIVFHGNGYQP-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.79
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
1-butan-2-yl-4-[1-chloro-2-(3-chlorophenyl)ethyl]benzene
CID 63429914
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide
CID 67730836
(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520
1-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 60881758
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
1-butan-2-yl-4-[[2-(chloromethyl)phenyl]methoxy]benzene
CID 139652394

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene?
The IUPAC name of 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene (CID 103599968) is 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene?
The canonical SMILES for 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene is CCC(C)c1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene?
The InChIKey is CZCBIVFHGNGYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-3-13(2)15-7-9-17(10-8-15)19-12-14-5-4-6-16(18)11-14/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene?
1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene has a molecular weight of 274.79 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene is sourced from PubChem (CID 103599968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).