(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol

C18H14F2O2 — CID 169228106

IUPAC(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol
SMILESOCc1cc(OCc2ccccc2)c2c(F)c(F)ccc2c1
InChIInChI=1S/C18H14F2O2/c19-15-7-6-14-8-13(10-21)9-16(17(14)18(15)20)22-11-12-4-2-1-3-5-12/h1-9,21H,10-11H2
InChIKeyGTECQVYZYILWHW-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.19
Rot. Bonds4

About (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol

(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol (PubChem CID 169228106) has the molecular formula C18H14F2O2 and a molecular weight of 300.30 g/mol. Its IUPAC name is (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol
PubChem CID169228106
Molecular FormulaC18H14F2O2
Molecular Weight300.30 g/mol
Exact Mass300.10
IUPAC Name(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol
SMILESOCc1cc(OCc2ccccc2)c2c(F)c(F)ccc2c1
InChIInChI=1S/C18H14F2O2/c19-15-7-6-14-8-13(10-21)9-16(17(14)18(15)20)22-11-12-4-2-1-3-5-12/h1-9,21H,10-11H2
InChIKeyGTECQVYZYILWHW-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
[2-(3,4-difluorophenyl)-6-phenylmethoxy-4-pyridinyl]methanol
CID 165437531
1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
CID 171368097
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
2-(2,3-difluoro-6-phenylmethoxyphenyl)acetamide
CID 91259658

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol?
The IUPAC name of (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol (CID 169228106) is (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol.
What is the SMILES notation for (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol?
The canonical SMILES for (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol is OCc1cc(OCc2ccccc2)c2c(F)c(F)ccc2c1.
What is the InChIKey of (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol?
The InChIKey is GTECQVYZYILWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2O2/c19-15-7-6-14-8-13(10-21)9-16(17(14)18(15)20)22-11-12-4-2-1-3-5-12/h1-9,21H,10-11H2.
What are the key properties of (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol?
(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol has a molecular weight of 300.30 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol is sourced from PubChem (CID 169228106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).