(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol

C16H17FO2 — CID 82806744

IUPAC(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(C)c2C)c1F
InChIInChI=1S/C16H17FO2/c1-10-6-4-7-12(11(10)2)16(18)13-8-5-9-14(19-3)15(13)17/h4-9,16,18H,1-3H3
InChIKeyKCJUWYBMZAFJRS-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.53
Rot. Bonds3

About (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol

(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82806744) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82806744
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(C)c2C)c1F
InChIInChI=1S/C16H17FO2/c1-10-6-4-7-12(11(10)2)16(18)13-8-5-9-14(19-3)15(13)17/h4-9,16,18H,1-3H3
InChIKeyKCJUWYBMZAFJRS-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(2-fluoro-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103435754
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
[2-(difluoromethoxy)phenyl]-(2,3-dimethylphenyl)methanol
CID 63895942
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol (CID 82806744) is (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2cccc(C)c2C)c1F.
What is the InChIKey of (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is KCJUWYBMZAFJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-10-6-4-7-12(11(10)2)16(18)13-8-5-9-14(19-3)15(13)17/h4-9,16,18H,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 260.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82806744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).