1-chloro-4-(propan-2-yloxymethyl)benzene

C10H13ClO — CID 23548339

IUPAC1-chloro-4-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyNUINNDSZOBUNRU-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.27
Rot. Bonds3

About 1-chloro-4-(propan-2-yloxymethyl)benzene

1-chloro-4-(propan-2-yloxymethyl)benzene (PubChem CID 23548339) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-chloro-4-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(propan-2-yloxymethyl)benzene
PubChem CID23548339
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-chloro-4-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyNUINNDSZOBUNRU-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
1-chloro-4-(1-ethoxyethoxymethyl)benzene
CID 19994952
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
1-[2-[(4-chlorophenyl)methoxy]propyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene
CID 146551830
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
3-[(4-chlorophenyl)methoxy]-2-methylbutanoic acid
CID 174667439
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985692
4-(propan-2-yloxymethyl)pyridine
CID 14442204
4-(propan-2-yloxymethyl)benzonitrile
CID 15647231
4-[(4-chlorophenyl)methoxy]pentanoic acid
CID 65127017
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine
CID 153390717

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-chloro-4-(propan-2-yloxymethyl)benzene (CID 23548339) is 1-chloro-4-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-chloro-4-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-chloro-4-(propan-2-yloxymethyl)benzene is CC(C)OCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(propan-2-yloxymethyl)benzene?
The InChIKey is NUINNDSZOBUNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-chloro-4-(propan-2-yloxymethyl)benzene?
1-chloro-4-(propan-2-yloxymethyl)benzene has a molecular weight of 184.67 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 23548339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).