methyl 2-hydroxy-4-methoxy-3-propylbenzoate

C12H16O4 — CID 14719500

IUPACmethyl 2-hydroxy-4-methoxy-3-propylbenzoate
SMILESCCCc1c(OC)ccc(C(=O)OC)c1O
InChIInChI=1S/C12H16O4/c1-4-5-8-10(15-2)7-6-9(11(8)13)12(14)16-3/h6-7,13H,4-5H2,1-3H3
InChIKeyQSFNCYVDNRHNSB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.14
Rot. Bonds4

About methyl 2-hydroxy-4-methoxy-3-propylbenzoate

methyl 2-hydroxy-4-methoxy-3-propylbenzoate (PubChem CID 14719500) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-3-propylbenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-3-propylbenzoate
PubChem CID14719500
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 2-hydroxy-4-methoxy-3-propylbenzoate
SMILESCCCc1c(OC)ccc(C(=O)OC)c1O
InChIInChI=1S/C12H16O4/c1-4-5-8-10(15-2)7-6-9(11(8)13)12(14)16-3/h6-7,13H,4-5H2,1-3H3
InChIKeyQSFNCYVDNRHNSB-UHFFFAOYSA-N
XLogP2.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
dimethyl 2-propylbenzene-1,3-dicarboxylate
CID 131888710
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 2-cyano-3-ethyl-4-methoxybenzoate
CID 134614049
methyl 3,4-dibutoxy-2-hydroxybenzoate
CID 122417744
(4-acetyl-3-hydroxy-2-propylphenyl) N,N-bis(methylsulfanyl)carbamate
CID 23336679
6-methoxy-3-methyl-2-propylphenol
CID 170766303
methyl 3-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoate
CID 54403318
3-methoxy-2-propylphenol
CID 10607156
methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate
CID 54149611
1-[4-(3-chloropropoxy)-2-hydroxy-3-propylphenyl]-2-(3-hydroxy-4-methoxyphenyl)ethanone
CID 154078000

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-3-propylbenzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-3-propylbenzoate (CID 14719500) is methyl 2-hydroxy-4-methoxy-3-propylbenzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-3-propylbenzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-3-propylbenzoate is CCCc1c(OC)ccc(C(=O)OC)c1O.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-3-propylbenzoate?
The InChIKey is QSFNCYVDNRHNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-5-8-10(15-2)7-6-9(11(8)13)12(14)16-3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of methyl 2-hydroxy-4-methoxy-3-propylbenzoate?
methyl 2-hydroxy-4-methoxy-3-propylbenzoate has a molecular weight of 224.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-3-propylbenzoate is sourced from PubChem (CID 14719500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).