1-(4-methoxyphenyl)propane-1,2-diol

C10H14O3 — CID 3016654

IUPAC1-(4-methoxyphenyl)propane-1,2-diol
SMILESCOc1ccc(C(O)C(C)O)cc1
InChIInChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3
InChIKeyMRDZSBVJWOXBRW-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.11
Rot. Bonds3

About 1-(4-methoxyphenyl)propane-1,2-diol

1-(4-methoxyphenyl)propane-1,2-diol (PubChem CID 3016654) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)propane-1,2-diol
PubChem CID3016654
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(4-methoxyphenyl)propane-1,2-diol
SMILESCOc1ccc(C(O)C(C)O)cc1
InChIInChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3
InChIKeyMRDZSBVJWOXBRW-UHFFFAOYSA-N
XLogP1.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)propane-1,2-diol?
The IUPAC name of 1-(4-methoxyphenyl)propane-1,2-diol (CID 3016654) is 1-(4-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 1-(4-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for 1-(4-methoxyphenyl)propane-1,2-diol is COc1ccc(C(O)C(C)O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)propane-1,2-diol?
The InChIKey is MRDZSBVJWOXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)propane-1,2-diol?
1-(4-methoxyphenyl)propane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 3016654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).