[4-(hydroxymethyl)-2-methoxyphenyl] formate

C9H10O4 — CID 134186869

IUPAC[4-(hydroxymethyl)-2-methoxyphenyl] formate
SMILESCOc1cc(CO)ccc1OC=O
InChIInChI=1S/C9H10O4/c1-12-9-4-7(5-10)2-3-8(9)13-6-11/h2-4,6,10H,5H2,1H3
InChIKeyPJRLNFUKKHYDMA-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.72
Rot. Bonds4

About [4-(hydroxymethyl)-2-methoxyphenyl] formate

[4-(hydroxymethyl)-2-methoxyphenyl] formate (PubChem CID 134186869) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-methoxyphenyl] formate.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-methoxyphenyl] formate
PubChem CID134186869
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name[4-(hydroxymethyl)-2-methoxyphenyl] formate
SMILESCOc1cc(CO)ccc1OC=O
InChIInChI=1S/C9H10O4/c1-12-9-4-7(5-10)2-3-8(9)13-6-11/h2-4,6,10H,5H2,1H3
InChIKeyPJRLNFUKKHYDMA-UHFFFAOYSA-N
XLogP0.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
(2,4-dimethoxyphenyl) formate
CID 11137749
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
CID 142791148
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
(4-ethoxy-2-methoxyphenyl) formate
CID 54118275
(3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174906852
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-methoxyphenyl] formate?
The IUPAC name of [4-(hydroxymethyl)-2-methoxyphenyl] formate (CID 134186869) is [4-(hydroxymethyl)-2-methoxyphenyl] formate.
What is the SMILES notation for [4-(hydroxymethyl)-2-methoxyphenyl] formate?
The canonical SMILES for [4-(hydroxymethyl)-2-methoxyphenyl] formate is COc1cc(CO)ccc1OC=O.
What is the InChIKey of [4-(hydroxymethyl)-2-methoxyphenyl] formate?
The InChIKey is PJRLNFUKKHYDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-9-4-7(5-10)2-3-8(9)13-6-11/h2-4,6,10H,5H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2-methoxyphenyl] formate?
[4-(hydroxymethyl)-2-methoxyphenyl] formate has a molecular weight of 182.17 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-methoxyphenyl] formate is sourced from PubChem (CID 134186869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).