(4,5-difluoro-2-phenylmethoxyphenyl)methanol

C14H12F2O2 — CID 130119023

IUPAC(4,5-difluoro-2-phenylmethoxyphenyl)methanol
SMILESOCc1cc(F)c(F)cc1OCc1ccccc1
InChIInChI=1S/C14H12F2O2/c15-12-6-11(8-17)14(7-13(12)16)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2
InChIKeyHWVWMNAXNXJNBT-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.04
Rot. Bonds4

About (4,5-difluoro-2-phenylmethoxyphenyl)methanol

(4,5-difluoro-2-phenylmethoxyphenyl)methanol (PubChem CID 130119023) has the molecular formula C14H12F2O2 and a molecular weight of 250.24 g/mol. Its IUPAC name is (4,5-difluoro-2-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(4,5-difluoro-2-phenylmethoxyphenyl)methanol
PubChem CID130119023
Molecular FormulaC14H12F2O2
Molecular Weight250.24 g/mol
Exact Mass250.08
IUPAC Name(4,5-difluoro-2-phenylmethoxyphenyl)methanol
SMILESOCc1cc(F)c(F)cc1OCc1ccccc1
InChIInChI=1S/C14H12F2O2/c15-12-6-11(8-17)14(7-13(12)16)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2
InChIKeyHWVWMNAXNXJNBT-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
CID 155588527
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 541841
[5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol
CID 18628101
(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol
CID 169228106

Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-phenylmethoxyphenyl)methanol?
The IUPAC name of (4,5-difluoro-2-phenylmethoxyphenyl)methanol (CID 130119023) is (4,5-difluoro-2-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (4,5-difluoro-2-phenylmethoxyphenyl)methanol?
The canonical SMILES for (4,5-difluoro-2-phenylmethoxyphenyl)methanol is OCc1cc(F)c(F)cc1OCc1ccccc1.
What is the InChIKey of (4,5-difluoro-2-phenylmethoxyphenyl)methanol?
The InChIKey is HWVWMNAXNXJNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2/c15-12-6-11(8-17)14(7-13(12)16)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2.
What are the key properties of (4,5-difluoro-2-phenylmethoxyphenyl)methanol?
(4,5-difluoro-2-phenylmethoxyphenyl)methanol has a molecular weight of 250.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-2-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 130119023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).