(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol

C17H17ClO2 — CID 115838406

IUPAC(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
SMILESCc1cc(Cl)cc(C(O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C17H17ClO2/c1-11-8-13(10-14(18)9-11)17(19)12-2-4-15(5-3-12)20-16-6-7-16/h2-5,8-10,16-17,19H,6-7H2,1H3
InChIKeyFTPRRYKGSPPVMQ-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.27
Rot. Bonds4

About (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol

(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol (PubChem CID 115838406) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
PubChem CID115838406
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
SMILESCc1cc(Cl)cc(C(O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C17H17ClO2/c1-11-8-13(10-14(18)9-11)17(19)12-2-4-15(5-3-12)20-16-6-7-16/h2-5,8-10,16-17,19H,6-7H2,1H3
InChIKeyFTPRRYKGSPPVMQ-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
CID 105051625
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680
(4-cyclopropyloxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115838353
(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 105051931
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518704
(4-cyclopropyloxyphenyl)-(2-methoxy-4-methylphenyl)methanol
CID 106791062

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol (CID 115838406) is (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol is Cc1cc(Cl)cc(C(O)c2ccc(OC3CC3)cc2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol?
The InChIKey is FTPRRYKGSPPVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-8-13(10-14(18)9-11)17(19)12-2-4-15(5-3-12)20-16-6-7-16/h2-5,8-10,16-17,19H,6-7H2,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol?
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol has a molecular weight of 288.77 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 115838406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).