(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol

C16H15IO2 — CID 115838435

IUPAC(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
SMILESOC(c1cccc(I)c1)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H15IO2/c17-13-5-1-3-11(9-13)16(18)12-4-2-6-15(10-12)19-14-7-8-14/h1-6,9-10,14,16,18H,7-8H2
InChIKeyKLIWJXPPNCCFRO-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.91
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol

(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol (PubChem CID 115838435) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
PubChem CID115838435
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Name(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
SMILESOC(c1cccc(I)c1)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H15IO2/c17-13-5-1-3-11(9-13)16(18)12-4-2-6-15(10-12)19-14-7-8-14/h1-6,9-10,14,16,18H,7-8H2
InChIKeyKLIWJXPPNCCFRO-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-cyclopropyloxyphenyl)-(3-iodophenyl)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

(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 114520812
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838478
7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
CID 115838516
(3-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 114521398

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol (CID 115838435) is (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol is OC(c1cccc(I)c1)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol?
The InChIKey is KLIWJXPPNCCFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c17-13-5-1-3-11(9-13)16(18)12-4-2-6-15(10-12)19-14-7-8-14/h1-6,9-10,14,16,18H,7-8H2.
What are the key properties of (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol?
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol has a molecular weight of 366.20 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol is sourced from PubChem (CID 115838435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).