2-methoxy-5-propylbenzene-1,4-diol

C10H14O3 — CID 5314475

IUPAC2-methoxy-5-propylbenzene-1,4-diol
SMILESCCCc1cc(O)c(OC)cc1O
InChIInChI=1S/C10H14O3/c1-3-4-7-5-9(12)10(13-2)6-8(7)11/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNVIGPNWNKIZMES-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.06
Rot. Bonds3

About 2-methoxy-5-propylbenzene-1,4-diol

2-methoxy-5-propylbenzene-1,4-diol (PubChem CID 5314475) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methoxy-5-propylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methoxy-5-propylbenzene-1,4-diol
PubChem CID5314475
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-methoxy-5-propylbenzene-1,4-diol
SMILESCCCc1cc(O)c(OC)cc1O
InChIInChI=1S/C10H14O3/c1-3-4-7-5-9(12)10(13-2)6-8(7)11/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNVIGPNWNKIZMES-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-propyl-5-sulfanylphenol
CID 162818092
4,6-dipropylbenzene-1,3-diol
CID 70496109
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786
5-methoxybenzene-1,2,4-triol
CID 20551665
2,5-diethyl-4-methoxyphenol
CID 162375149
5-methoxy-2-propylphenol
CID 12836519
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
ethane;2-methoxy-4-propylphenol
CID 144852330
butyl 3-(2,4-dihydroxy-5-methoxyphenyl)propanoate
CID 123255123
5-ethyl-2-methoxy-4-pentan-2-ylphenol
CID 10307983

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propylbenzene-1,4-diol?
The IUPAC name of 2-methoxy-5-propylbenzene-1,4-diol (CID 5314475) is 2-methoxy-5-propylbenzene-1,4-diol.
What is the SMILES notation for 2-methoxy-5-propylbenzene-1,4-diol?
The canonical SMILES for 2-methoxy-5-propylbenzene-1,4-diol is CCCc1cc(O)c(OC)cc1O.
What is the InChIKey of 2-methoxy-5-propylbenzene-1,4-diol?
The InChIKey is NVIGPNWNKIZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-4-7-5-9(12)10(13-2)6-8(7)11/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-5-propylbenzene-1,4-diol?
2-methoxy-5-propylbenzene-1,4-diol has a molecular weight of 182.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propylbenzene-1,4-diol is sourced from PubChem (CID 5314475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).