[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol

C16H16ClFO3 — CID 105372054

IUPAC[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1cc(F)ccc1C
InChIInChI=1S/C16H16ClFO3/c1-10-3-4-13(18)7-12(10)9-21-16-14(17)5-11(8-19)6-15(16)20-2/h3-7,19H,8-9H2,1-2H3
InChIKeyUMQMNOUCUTYUPZ-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.87
Rot. Bonds5

About [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol

[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol (PubChem CID 105372054) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol
PubChem CID105372054
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1cc(F)ccc1C
InChIInChI=1S/C16H16ClFO3/c1-10-3-4-13(18)7-12(10)9-21-16-14(17)5-11(8-19)6-15(16)20-2/h3-7,19H,8-9H2,1-2H3
InChIKeyUMQMNOUCUTYUPZ-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105372055
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 79698183
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953
[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 105372050
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
1,3-dibromo-5-(chloromethyl)-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 107745450
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 28898150
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol?
The IUPAC name of [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol (CID 105372054) is [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol is COc1cc(CO)cc(Cl)c1OCc1cc(F)ccc1C.
What is the InChIKey of [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol?
The InChIKey is UMQMNOUCUTYUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-10-3-4-13(18)7-12(10)9-21-16-14(17)5-11(8-19)6-15(16)20-2/h3-7,19H,8-9H2,1-2H3.
What are the key properties of [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol?
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol has a molecular weight of 310.75 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol is sourced from PubChem (CID 105372054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).