1-[chloro(cyclopropyl)methyl]-4-methoxybenzene

C11H13ClO — CID 61081177

IUPAC1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)C2CC2)cc1
InChIInChI=1S/C11H13ClO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3H2,1H3
InChIKeyOQNSOFYCHCCXRX-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.39
Rot. Bonds3

About 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene

1-[chloro(cyclopropyl)methyl]-4-methoxybenzene (PubChem CID 61081177) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
PubChem CID61081177
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)C2CC2)cc1
InChIInChI=1S/C11H13ClO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3H2,1H3
InChIKeyOQNSOFYCHCCXRX-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane
CID 62906933
[(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium
CID 7557024
1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene
CID 61085826
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
chloro-(4-methoxyphenyl)methanol
CID 130923369
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
2-[chloro(cyclopropyl)methyl]-1,3,5-trimethoxybenzene
CID 61086161
2-[chloro-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182339
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene?
The IUPAC name of 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene (CID 61081177) is 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene is COc1ccc(C(Cl)C2CC2)cc1.
What is the InChIKey of 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene?
The InChIKey is OQNSOFYCHCCXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3H2,1H3.
What are the key properties of 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene?
1-[chloro(cyclopropyl)methyl]-4-methoxybenzene has a molecular weight of 196.68 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(cyclopropyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 61081177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).