5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C18H18F2O — CID 107512073

IUPAC5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCc1ccc(C2(O)CCCCc3ccccc32)c(F)c1F
InChIInChI=1S/C18H18F2O/c1-12-9-10-15(17(20)16(12)19)18(21)11-5-4-7-13-6-2-3-8-14(13)18/h2-3,6,8-10,21H,4-5,7,11H2,1H3
InChIKeyHDUVTIAYPSYUJJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.24
Rot. Bonds1

About 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 107512073) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID107512073
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCc1ccc(C2(O)CCCCc3ccccc32)c(F)c1F
InChIInChI=1S/C18H18F2O/c1-12-9-10-15(17(20)16(12)19)18(21)11-5-4-7-13-6-2-3-8-14(13)18/h2-3,6,8-10,21H,4-5,7,11H2,1H3
InChIKeyHDUVTIAYPSYUJJ-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107512075
5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62800863
1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
CID 55116074
5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63406667
2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol
CID 107512076
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105393720
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
CID 62801026
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 107512073) is 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is Cc1ccc(C2(O)CCCCc3ccccc32)c(F)c1F.
What is the InChIKey of 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is HDUVTIAYPSYUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c1-12-9-10-15(17(20)16(12)19)18(21)11-5-4-7-13-6-2-3-8-14(13)18/h2-3,6,8-10,21H,4-5,7,11H2,1H3.
What are the key properties of 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 288.34 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 107512073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).