(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol

C18H18F2O — CID 107512915

IUPAC(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESCc1ccc(C(O)C2CCc3ccccc3C2)c(F)c1F
InChIInChI=1S/C18H18F2O/c1-11-6-9-15(17(20)16(11)19)18(21)14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14,18,21H,7-8,10H2,1H3
InChIKeyDBGNMVWZWOMWQE-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.11
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol

(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol (PubChem CID 107512915) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
PubChem CID107512915
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESCc1ccc(C(O)C2CCc3ccccc3C2)c(F)c1F
InChIInChI=1S/C18H18F2O/c1-11-6-9-15(17(20)16(11)19)18(21)14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14,18,21H,7-8,10H2,1H3
InChIKeyDBGNMVWZWOMWQE-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
CID 107512914
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107127395
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol
CID 107127371
(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65410998
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 114347478
2,3-dihydro-1H-inden-2-yl-(2,4-dimethylphenyl)methanol
CID 65410977
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]hydrazine
CID 105234578
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 106762057
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol (CID 107512915) is (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol is Cc1ccc(C(O)C2CCc3ccccc3C2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is DBGNMVWZWOMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c1-11-6-9-15(17(20)16(11)19)18(21)14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14,18,21H,7-8,10H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 288.34 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 107512915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).