2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride

C17H17ClO2 — CID 59202337

IUPAC2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C17H17ClO2/c1-11-9-15(17(18)19)12(2)13(3)16(11)20-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyHCUAWWOUYNLZMZ-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.57
Rot. Bonds4

About 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride

2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride (PubChem CID 59202337) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
PubChem CID59202337
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C17H17ClO2/c1-11-9-15(17(18)19)12(2)13(3)16(11)20-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyHCUAWWOUYNLZMZ-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
3,5-ditert-butyl-2-phenylmethoxybenzoyl chloride
CID 102210368
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
2-phenylmethoxybenzoyl chloride
CID 10999355
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide
CID 87130031

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride?
The IUPAC name of 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride (CID 59202337) is 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride?
The canonical SMILES for 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride is Cc1cc(C(=O)Cl)c(C)c(C)c1OCc1ccccc1.
What is the InChIKey of 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride?
The InChIKey is HCUAWWOUYNLZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-9-15(17(18)19)12(2)13(3)16(11)20-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride?
2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride has a molecular weight of 288.77 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 59202337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).