1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene

C18H21ClO — CID 143786754

IUPAC1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene
SMILESCCC(C)Cc1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClO/c1-3-14(2)12-16-6-4-5-7-18(16)20-13-15-8-10-17(19)11-9-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyOBFOVDGVZAWIKO-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.51
Rot. Bonds6

About 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene

1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene (PubChem CID 143786754) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene
PubChem CID143786754
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene
SMILESCCC(C)Cc1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClO/c1-3-14(2)12-16-6-4-5-7-18(16)20-13-15-8-10-17(19)11-9-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyOBFOVDGVZAWIKO-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717038
(2S)-N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726708
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60908081
1-chloro-4-[2-(2-methylbutyl)phenyl]benzene
CID 143786749
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene?
The IUPAC name of 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene (CID 143786754) is 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene is CCC(C)Cc1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene?
The InChIKey is OBFOVDGVZAWIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-3-14(2)12-16-6-4-5-7-18(16)20-13-15-8-10-17(19)11-9-15/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene?
1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene has a molecular weight of 288.82 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene is sourced from PubChem (CID 143786754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).