[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate

C17H18O2 — CID 157272956

IUPAC[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate
SMILESCc1ccc(Cc2ccc(C)c(OC=O)c2)cc1C
InChIInChI=1S/C17H18O2/c1-12-4-6-15(8-14(12)3)9-16-7-5-13(2)17(10-16)19-11-18/h4-8,10-11H,9H2,1-3H3
InChIKeyHFPPCMUQPMJRAF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.74
Rot. Bonds4

About [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate

[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate (PubChem CID 157272956) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate.

Molecular Properties

Compound Name[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate
PubChem CID157272956
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate
SMILESCc1ccc(Cc2ccc(C)c(OC=O)c2)cc1C
InChIInChI=1S/C17H18O2/c1-12-4-6-15(8-14(12)3)9-16-7-5-13(2)17(10-16)19-11-18/h4-8,10-11H,9H2,1-3H3
InChIKeyHFPPCMUQPMJRAF-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-amino-3-formyloxyphenyl)methyl]-2-methylbenzoic acid
CID 157363776
[4-(hydroxymethyl)-2-methoxyphenyl] formate
CID 134186869
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
CID 58598667
1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene
CID 139567756
3-(3,4-dimethylphenyl)-2-(methylamino)propanal
CID 168758829
3-(3,4-dimethylphenyl)-2-methylpropanal
CID 64665590
formamide;2-methoxy-1-methyl-4-pentylbenzene
CID 142217487
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde
CID 11034426

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate?
The IUPAC name of [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate (CID 157272956) is [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate.
What is the SMILES notation for [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate?
The canonical SMILES for [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate is Cc1ccc(Cc2ccc(C)c(OC=O)c2)cc1C.
What is the InChIKey of [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate?
The InChIKey is HFPPCMUQPMJRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-4-6-15(8-14(12)3)9-16-7-5-13(2)17(10-16)19-11-18/h4-8,10-11H,9H2,1-3H3.
What are the key properties of [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate?
[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate has a molecular weight of 254.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate is sourced from PubChem (CID 157272956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).