[3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol

C17H16F2O2 — CID 115838716

IUPAC[3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol
SMILESOC(c1cccc(OC(F)F)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H16F2O2/c18-17(19)21-13-8-4-7-12(9-13)16(20)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-17,20H,10H2
InChIKeyVLGHVEMMGGPAIP-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.13
Rot. Bonds5

About [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol

[3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol (PubChem CID 115838716) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol
PubChem CID115838716
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name[3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol
SMILESOC(c1cccc(OC(F)F)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H16F2O2/c18-17(19)21-13-8-4-7-12(9-13)16(20)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-17,20H,10H2
InChIKeyVLGHVEMMGGPAIP-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenylcyclopropyl)-(3-propylphenyl)methanol
CID 115838097
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
CID 162633867
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
[3-(difluoromethoxy)phenyl]-(2-fluorophenyl)methanol
CID 115781698
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol
CID 75497612
(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
CID 55264090

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol (CID 115838716) is [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol is OC(c1cccc(OC(F)F)c1)C1CC1c1ccccc1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol?
The InChIKey is VLGHVEMMGGPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c18-17(19)21-13-8-4-7-12(9-13)16(20)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-17,20H,10H2.
What are the key properties of [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol?
[3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol has a molecular weight of 290.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(2-phenylcyclopropyl)methanol is sourced from PubChem (CID 115838716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).