(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol

C17H16F2O2 — CID 115838370

IUPAC(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(OC3CC3)cc2)c(F)cc1F
InChIInChI=1S/C17H16F2O2/c1-10-8-14(16(19)9-15(10)18)17(20)11-2-4-12(5-3-11)21-13-6-7-13/h2-5,8-9,13,17,20H,6-7H2,1H3
InChIKeyBHSZPPVMRYTBCL-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.90
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol

(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 115838370) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID115838370
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(OC3CC3)cc2)c(F)cc1F
InChIInChI=1S/C17H16F2O2/c1-10-8-14(16(19)9-15(10)18)17(20)11-2-4-12(5-3-11)21-13-6-7-13/h2-5,8-9,13,17,20H,6-7H2,1H3
InChIKeyBHSZPPVMRYTBCL-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115838353
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol
CID 79725993
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(4-cyclopropyloxyphenyl)-(2-methoxy-4-methylphenyl)methanol
CID 106791062
(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518704
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(4-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105131446
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol (CID 115838370) is (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2ccc(OC3CC3)cc2)c(F)cc1F.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is BHSZPPVMRYTBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-10-8-14(16(19)9-15(10)18)17(20)11-2-4-12(5-3-11)21-13-6-7-13/h2-5,8-9,13,17,20H,6-7H2,1H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol?
(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol has a molecular weight of 290.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 115838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).