[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol

C16H16F2O3 — CID 61081501

IUPAC[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)c1ccccc1OC(F)F
InChIInChI=1S/C16H16F2O3/c1-10-7-8-13(20-2)12(9-10)15(19)11-5-3-4-6-14(11)21-16(17)18/h3-9,15-16,19H,1-2H3
InChIKeyDNQVTMDENSPNRB-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.69
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol

[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol (PubChem CID 61081501) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol
PubChem CID61081501
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)c1ccccc1OC(F)F
InChIInChI=1S/C16H16F2O3/c1-10-7-8-13(20-2)12(9-10)15(19)11-5-3-4-6-14(11)21-16(17)18/h3-9,15-16,19H,1-2H3
InChIKeyDNQVTMDENSPNRB-UHFFFAOYSA-N
XLogP3.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanol
CID 63895753
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 63899302
[2-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanol
CID 61081110
[2-(difluoromethoxy)phenyl]-(2,3-dimethylphenyl)methanol
CID 63895942
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
(2-chloro-4-fluorophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 61080374
(2,4-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61086897
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 63017552
(2-methoxy-5-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 62503375

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol (CID 61081501) is [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol is COc1ccc(C)cc1C(O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol?
The InChIKey is DNQVTMDENSPNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-10-7-8-13(20-2)12(9-10)15(19)11-5-3-4-6-14(11)21-16(17)18/h3-9,15-16,19H,1-2H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol?
[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol has a molecular weight of 294.30 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 61081501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).