2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene

C19H23ClO — CID 63429785

IUPAC2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene
SMILESCOCCc1ccc(C(Cl)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H23ClO/c1-13-11-14(2)18(15(3)12-13)19(20)17-7-5-16(6-8-17)9-10-21-4/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyWMMHPNRFBWQMFF-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.13
Rot. Bonds5

About 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene

2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene (PubChem CID 63429785) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene
PubChem CID63429785
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene
SMILESCOCCc1ccc(C(Cl)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H23ClO/c1-13-11-14(2)18(15(3)12-13)19(20)17-7-5-16(6-8-17)9-10-21-4/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyWMMHPNRFBWQMFF-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.13
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

2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
CID 62504750
1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene
CID 61085120
1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan
CID 61083920
(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 81323781
1-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-3-chloro-5-methylbenzene
CID 81324802
1-(3-chloro-5-methylphenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 81315879
4-bromo-1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-2-fluorobenzene
CID 63429439
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
CID 81123904
1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
CID 55134945
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene (CID 63429785) is 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene is COCCc1ccc(C(Cl)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene?
The InChIKey is WMMHPNRFBWQMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-13-11-14(2)18(15(3)12-13)19(20)17-7-5-16(6-8-17)9-10-21-4/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene?
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene has a molecular weight of 302.85 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 63429785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).