[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol

C17H17ClO2 — CID 6482550

IUPAC[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol
SMILESOC(c1ccc(OCc2ccccc2Cl)cc1)C1CC1
InChIInChI=1S/C17H17ClO2/c18-16-4-2-1-3-14(16)11-20-15-9-7-13(8-10-15)17(19)12-5-6-12/h1-4,7-10,12,17,19H,5-6,11H2
InChIKeyXFVXDNVRSQSPMZ-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.36
Rot. Bonds5

About [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol

[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol (PubChem CID 6482550) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol
PubChem CID6482550
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol
SMILESOC(c1ccc(OCc2ccccc2Cl)cc1)C1CC1
InChIInChI=1S/C17H17ClO2/c18-16-4-2-1-3-14(16)11-20-15-9-7-13(8-10-15)17(19)12-5-6-12/h1-4,7-10,12,17,19H,5-6,11H2
InChIKeyXFVXDNVRSQSPMZ-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol?
The IUPAC name of [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol (CID 6482550) is [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol?
The canonical SMILES for [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol is OC(c1ccc(OCc2ccccc2Cl)cc1)C1CC1.
What is the InChIKey of [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol?
The InChIKey is XFVXDNVRSQSPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-16-4-2-1-3-14(16)11-20-15-9-7-13(8-10-15)17(19)12-5-6-12/h1-4,7-10,12,17,19H,5-6,11H2.
What are the key properties of [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol?
[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol has a molecular weight of 288.77 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanol is sourced from PubChem (CID 6482550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).