[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate

C19H22O2 — CID 89375089

IUPAC[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate
SMILESCc1ccc(C(C)(C)c2ccc(OC=O)c(C)c2)cc1C
InChIInChI=1S/C19H22O2/c1-13-6-7-16(10-14(13)2)19(4,5)17-8-9-18(21-12-20)15(3)11-17/h6-12H,1-5H3
InChIKeyYUAAAZDQZMVDBC-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.47
Rot. Bonds4

About [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate

[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate (PubChem CID 89375089) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate.

Molecular Properties

Compound Name[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate
PubChem CID89375089
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate
SMILESCc1ccc(C(C)(C)c2ccc(OC=O)c(C)c2)cc1C
InChIInChI=1S/C19H22O2/c1-13-6-7-16(10-14(13)2)19(4,5)17-8-9-18(21-12-20)15(3)11-17/h6-12H,1-5H3
InChIKeyYUAAAZDQZMVDBC-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate?
The IUPAC name of [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate (CID 89375089) is [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate.
What is the SMILES notation for [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate?
The canonical SMILES for [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate is Cc1ccc(C(C)(C)c2ccc(OC=O)c(C)c2)cc1C.
What is the InChIKey of [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate?
The InChIKey is YUAAAZDQZMVDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-6-7-16(10-14(13)2)19(4,5)17-8-9-18(21-12-20)15(3)11-17/h6-12H,1-5H3.
What are the key properties of [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate?
[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate has a molecular weight of 282.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl] formate is sourced from PubChem (CID 89375089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).