(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

C18H18O3 — CID 79972232

IUPAC(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc(C2CC2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18O3/c19-18(14-5-3-13(4-6-14)12-1-2-12)15-7-8-16-17(11-15)21-10-9-20-16/h3-8,11-12,18-19H,1-2,9-10H2
InChIKeyUGOOSRSWKWTZGV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.42
Rot. Bonds3

About (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 79972232) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID79972232
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc(C2CC2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18O3/c19-18(14-5-3-13(4-6-14)12-1-2-12)15-7-8-16-17(11-15)21-10-9-20-16/h3-8,11-12,18-19H,1-2,9-10H2
InChIKeyUGOOSRSWKWTZGV-UHFFFAOYSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrazol-4-yl)methanol
CID 114993447
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3,5-dimethylphenyl)methanol
CID 61101261
1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
CID 114518527
2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol
CID 81437183
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine
CID 82295861
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 79972232) is (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is OC(c1ccc(C2CC2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is UGOOSRSWKWTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-18(14-5-3-13(4-6-14)12-1-2-12)15-7-8-16-17(11-15)21-10-9-20-16/h3-8,11-12,18-19H,1-2,9-10H2.
What are the key properties of (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol has a molecular weight of 282.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 79972232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).