(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol

C14H18O3S — CID 114521401

IUPAC(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol
SMILESOC(c1cccc(OC2CC2)c1)C1CSCCO1
InChIInChI=1S/C14H18O3S/c15-14(13-9-18-7-6-16-13)10-2-1-3-12(8-10)17-11-4-5-11/h1-3,8,11,13-15H,4-7,9H2
InChIKeyBCXYFOGZFAOYMK-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.39
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol

(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol (PubChem CID 114521401) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol
PubChem CID114521401
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol
SMILESOC(c1cccc(OC2CC2)c1)C1CSCCO1
InChIInChI=1S/C14H18O3S/c15-14(13-9-18-7-6-16-13)10-2-1-3-12(8-10)17-11-4-5-11/h1-3,8,11,13-15H,4-7,9H2
InChIKeyBCXYFOGZFAOYMK-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)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

naphthalen-2-yl(1,4-oxathian-2-yl)methanol
CID 79963790
1,4-oxathian-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 79963910
(4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine
CID 114519626
(3,5-dimethylphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963902
(4-ethoxyphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963801
7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
CID 115838516
(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methanol
CID 107193013
(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 78955112
1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 63935830
(3-cyclobutylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 114603995
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol (CID 114521401) is (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol is OC(c1cccc(OC2CC2)c1)C1CSCCO1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is BCXYFOGZFAOYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c15-14(13-9-18-7-6-16-13)10-2-1-3-12(8-10)17-11-4-5-11/h1-3,8,11,13-15H,4-7,9H2.
What are the key properties of (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol?
(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 266.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 114521401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).