1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene

C14H19ClO — CID 154618376

IUPAC1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene
SMILESCC(C)(C)C(OC1CC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClO/c1-14(2,3)13(16-10-8-9-10)11-6-4-5-7-12(11)15/h4-7,10,13H,8-9H2,1-3H3
InChIKeyZCQIPSRJQNVKNQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.61
Rot. Bonds3

About 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene

1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene (PubChem CID 154618376) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene
PubChem CID154618376
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene
SMILESCC(C)(C)C(OC1CC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClO/c1-14(2,3)13(16-10-8-9-10)11-6-4-5-7-12(11)15/h4-7,10,13H,8-9H2,1-3H3
InChIKeyZCQIPSRJQNVKNQ-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane
CID 178008216
1-(2-chlorophenyl)-1-cyclopentyloxypropan-2-amine
CID 55022905
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
1-chloro-2-(2,2,4-trimethylpentan-3-yl)benzene
CID 154618386
1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
CID 83228544
2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 114342165
N-[2-(2-chlorophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63476222
1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene
CID 63468804
2-(2-chlorophenyl)-2-cyclohexyloxy-N-ethylethanamine
CID 62108606
3-[bis(2-chlorophenyl)methoxy]azetidine
CID 68907853
N-[2-(2-chlorophenyl)-2-cyclobutyloxyethyl]propan-1-amine
CID 62381645
methyl 3-(2-chlorophenyl)-3-methoxy-2,2-dimethylpropanoate
CID 122206433

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene?
The IUPAC name of 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene (CID 154618376) is 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene.
What is the SMILES notation for 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene?
The canonical SMILES for 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene is CC(C)(C)C(OC1CC1)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene?
The InChIKey is ZCQIPSRJQNVKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-14(2,3)13(16-10-8-9-10)11-6-4-5-7-12(11)15/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene?
1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene has a molecular weight of 238.76 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene is sourced from PubChem (CID 154618376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).