5-(cyclopropylmethyl)benzene-1,3-diol

C10H12O2 — CID 89372434

IUPAC5-(cyclopropylmethyl)benzene-1,3-diol
SMILESOc1cc(O)cc(CC2CC2)c1
InChIInChI=1S/C10H12O2/c11-9-4-8(3-7-1-2-7)5-10(12)6-9/h4-7,11-12H,1-3H2
InChIKeyQINKAGXNDRPEMQ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.05
Rot. Bonds2

About 5-(cyclopropylmethyl)benzene-1,3-diol

5-(cyclopropylmethyl)benzene-1,3-diol (PubChem CID 89372434) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(cyclopropylmethyl)benzene-1,3-diol
PubChem CID89372434
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5-(cyclopropylmethyl)benzene-1,3-diol
SMILESOc1cc(O)cc(CC2CC2)c1
InChIInChI=1S/C10H12O2/c11-9-4-8(3-7-1-2-7)5-10(12)6-9/h4-7,11-12H,1-3H2
InChIKeyQINKAGXNDRPEMQ-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(cyclopropylmethyl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
3-ethyl-5-(piperidin-4-ylmethyl)phenol
CID 117312985
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 19379531
3-(piperidin-1-ium-4-ylmethyl)phenol chloride
CID 11470198
(3,5-dihydroxyphenyl) 2-[4-[2-(3,5-dihydroxyphenoxy)-2-oxoethyl]cyclohexyl]acetate
CID 67652637
4-(piperidin-4-ylmethyl)phenol
CID 17039495
1-bromo-3-chloro-5-(cyclopropylmethyl)benzene
CID 122447294
3-(azetidin-2-ylmethyl)-5-fluorophenol
CID 84657924
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
3-(piperidin-3-ylmethyl)phenol
CID 57155980

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)benzene-1,3-diol?
The IUPAC name of 5-(cyclopropylmethyl)benzene-1,3-diol (CID 89372434) is 5-(cyclopropylmethyl)benzene-1,3-diol.
What is the SMILES notation for 5-(cyclopropylmethyl)benzene-1,3-diol?
The canonical SMILES for 5-(cyclopropylmethyl)benzene-1,3-diol is Oc1cc(O)cc(CC2CC2)c1.
What is the InChIKey of 5-(cyclopropylmethyl)benzene-1,3-diol?
The InChIKey is QINKAGXNDRPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-4-8(3-7-1-2-7)5-10(12)6-9/h4-7,11-12H,1-3H2.
What are the key properties of 5-(cyclopropylmethyl)benzene-1,3-diol?
5-(cyclopropylmethyl)benzene-1,3-diol has a molecular weight of 164.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)benzene-1,3-diol is sourced from PubChem (CID 89372434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).