1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol

C19H18F2O — CID 139850207

IUPAC1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol
SMILESCCCc1ccc(-c2ccc3c(c2)C=CC(O)C3(F)F)cc1
InChIInChI=1S/C19H18F2O/c1-2-3-13-4-6-14(7-5-13)15-8-10-17-16(12-15)9-11-18(22)19(17,20)21/h4-12,18,22H,2-3H2,1H3
InChIKeyVFFMPZGEMYHMEJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.79
Rot. Bonds3

About 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol

1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol (PubChem CID 139850207) has the molecular formula C19H18F2O and a molecular weight of 300.35 g/mol. Its IUPAC name is 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol.

Molecular Properties

Compound Name1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol
PubChem CID139850207
Molecular FormulaC19H18F2O
Molecular Weight300.35 g/mol
Exact Mass300.13
IUPAC Name1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol
SMILESCCCc1ccc(-c2ccc3c(c2)C=CC(O)C3(F)F)cc1
InChIInChI=1S/C19H18F2O/c1-2-3-13-4-6-14(7-5-13)15-8-10-17-16(12-15)9-11-18(22)19(17,20)21/h4-12,18,22H,2-3H2,1H3
InChIKeyVFFMPZGEMYHMEJ-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-6-(4-pentylphenyl)naphthalen-2-one
CID 139850097
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene
CID 150489928
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654125
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol?
The IUPAC name of 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol (CID 139850207) is 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol.
What is the SMILES notation for 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol?
The canonical SMILES for 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol is CCCc1ccc(-c2ccc3c(c2)C=CC(O)C3(F)F)cc1.
What is the InChIKey of 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol?
The InChIKey is VFFMPZGEMYHMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O/c1-2-3-13-4-6-14(7-5-13)15-8-10-17-16(12-15)9-11-18(22)19(17,20)21/h4-12,18,22H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol?
1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol has a molecular weight of 300.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol is sourced from PubChem (CID 139850207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).