1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene

C18H21ClO2 — CID 63543209

IUPAC1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(Cl)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C18H21ClO2/c1-12-5-6-13(2)14(7-12)10-18(19)15-8-16(20-3)11-17(9-15)21-4/h5-9,11,18H,10H2,1-4H3
InChIKeyRVSMWPZDVBMWOM-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.84
Rot. Bonds5

About 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene

1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene (PubChem CID 63543209) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
PubChem CID63543209
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(Cl)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C18H21ClO2/c1-12-5-6-13(2)14(7-12)10-18(19)15-8-16(20-3)11-17(9-15)21-4/h5-9,11,18H,10H2,1-4H3
InChIKeyRVSMWPZDVBMWOM-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83044402
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene
CID 81129061
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
2-[2-chloro-2-[3-(difluoromethoxy)phenyl]ethyl]-1,4-dimethylbenzene
CID 63542173
2-[2-chloro-2-(4-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 55224453
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
2-[2-chloro-2-(3-fluoro-4-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 55224644
1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
CID 63519326
2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
CID 66460220
2-[2-chloro-2-(3-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 63544772
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026220

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene (CID 63543209) is 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene is COc1cc(OC)cc(C(Cl)Cc2cc(C)ccc2C)c1.
What is the InChIKey of 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene?
The InChIKey is RVSMWPZDVBMWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-12-5-6-13(2)14(7-12)10-18(19)15-8-16(20-3)11-17(9-15)21-4/h5-9,11,18H,10H2,1-4H3.
What are the key properties of 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene?
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene has a molecular weight of 304.82 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 63543209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).