(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol

C16H16F2O2 — CID 62918976

IUPAC(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-9-12(17)6-7-15(14)18/h3-10,16,19H,1-2H3
InChIKeyKKMQEAYQHCERRD-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.83
Rot. Bonds4

About (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol

(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 62918976) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID62918976
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-9-12(17)6-7-15(14)18/h3-10,16,19H,1-2H3
InChIKeyKKMQEAYQHCERRD-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(2,5-difluorophenyl)-(3,5-dimethoxyphenyl)methanol
CID 61100108
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895183
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106880297
[3-(difluoromethoxy)phenyl]-(2-fluorophenyl)methanol
CID 115781698

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol (CID 62918976) is (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc(C(O)c2cc(F)ccc2F)c1.
What is the InChIKey of (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is KKMQEAYQHCERRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-9-12(17)6-7-15(14)18/h3-10,16,19H,1-2H3.
What are the key properties of (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol?
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 278.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 62918976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).