(2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate

C16H24O3 — CID 178057151

IUPAC(2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate
SMILESCCCc1cc(OC)c(OC(=O)C(C)CC)cc1C
InChIInChI=1S/C16H24O3/c1-6-8-13-10-14(18-5)15(9-12(13)4)19-16(17)11(3)7-2/h9-11H,6-8H2,1-5H3
InChIKeyLFTFSCIYTYHDCL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.91
Rot. Bonds6

About (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate

(2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate (PubChem CID 178057151) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate.

Molecular Properties

Compound Name(2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate
PubChem CID178057151
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate
SMILESCCCc1cc(OC)c(OC(=O)C(C)CC)cc1C
InChIInChI=1S/C16H24O3/c1-6-8-13-10-14(18-5)15(9-12(13)4)19-16(17)11(3)7-2/h9-11H,6-8H2,1-5H3
InChIKeyLFTFSCIYTYHDCL-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate
CID 175925760
methyl 2-amino-4-(4,5-dimethoxy-2-methylphenyl)butanoate
CID 116851497
(3,4,5-trimethoxyphenyl) 2-methylbutanoate
CID 91873545
N-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 87039821
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
[4-bromo-2-(2-methylbutanoyloxy)phenyl] 2-methylbutanoate
CID 159340943
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
CID 91113458
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
CID 43626575
1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate
CID 175601571
[4-[4-(4-methoxyphenyl)phenyl]phenyl] 2-methylbutanoate
CID 22974655

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate?
The IUPAC name of (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate (CID 178057151) is (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate.
What is the SMILES notation for (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate?
The canonical SMILES for (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate is CCCc1cc(OC)c(OC(=O)C(C)CC)cc1C.
What is the InChIKey of (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate?
The InChIKey is LFTFSCIYTYHDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-6-8-13-10-14(18-5)15(9-12(13)4)19-16(17)11(3)7-2/h9-11H,6-8H2,1-5H3.
What are the key properties of (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate?
(2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate has a molecular weight of 264.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate is sourced from PubChem (CID 178057151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).