1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol

C17H16O4 — CID 114518527

IUPAC1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16O4/c18-17(12-3-8-15-16(9-12)20-10-19-15)11-1-4-13(5-2-11)21-14-6-7-14/h1-5,8-9,14,17-18H,6-7,10H2
InChIKeyJHHLVAJCMWKEHD-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.04
Rot. Bonds4

About 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol

1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol (PubChem CID 114518527) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
PubChem CID114518527
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16O4/c18-17(12-3-8-15-16(9-12)20-10-19-15)11-1-4-13(5-2-11)21-14-6-7-14/h1-5,8-9,14,17-18H,6-7,10H2
InChIKeyJHHLVAJCMWKEHD-UHFFFAOYSA-N
XLogP3.04
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol 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-cyclopropyloxyphenyl)-(4-cyclopropylphenyl)methanol
CID 114518662
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
CID 61099714
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
CID 61082396
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 79972232
(4-cyclopropyloxyphenyl)-[2-(methoxymethyl)phenyl]methanol
CID 114518627
1,3-benzodioxol-5-yl(bromo)methanol
CID 141431420

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol?
The IUPAC name of 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol (CID 114518527) is 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol is OC(c1ccc(OC2CC2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol?
The InChIKey is JHHLVAJCMWKEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c18-17(12-3-8-15-16(9-12)20-10-19-15)11-1-4-13(5-2-11)21-14-6-7-14/h1-5,8-9,14,17-18H,6-7,10H2.
What are the key properties of 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol?
1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol has a molecular weight of 284.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 114518527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).