1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one

C20H22O3 — CID 22016689

IUPAC1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
SMILESCc1cc(O)c(C(=O)CCc2ccc3c(c2)CCCC3)c(O)c1
InChIInChI=1S/C20H22O3/c1-13-10-18(22)20(19(23)11-13)17(21)9-7-14-6-8-15-4-2-3-5-16(15)12-14/h6,8,10-12,22-23H,2-5,7,9H2,1H3
InChIKeyAOGRCYPUSNRLNP-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.10
Rot. Bonds4

About 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one

1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one (PubChem CID 22016689) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
PubChem CID22016689
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
SMILESCc1cc(O)c(C(=O)CCc2ccc3c(c2)CCCC3)c(O)c1
InChIInChI=1S/C20H22O3/c1-13-10-18(22)20(19(23)11-13)17(21)9-7-14-6-8-15-4-2-3-5-16(15)12-14/h6,8,10-12,22-23H,2-5,7,9H2,1H3
InChIKeyAOGRCYPUSNRLNP-UHFFFAOYSA-N
XLogP4.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxy-3-methylphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 140751635
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide
CID 116846323
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
CID 14826836
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one?
The IUPAC name of 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one (CID 22016689) is 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one?
The canonical SMILES for 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one is Cc1cc(O)c(C(=O)CCc2ccc3c(c2)CCCC3)c(O)c1.
What is the InChIKey of 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one?
The InChIKey is AOGRCYPUSNRLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-13-10-18(22)20(19(23)11-13)17(21)9-7-14-6-8-15-4-2-3-5-16(15)12-14/h6,8,10-12,22-23H,2-5,7,9H2,1H3.
What are the key properties of 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one?
1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one has a molecular weight of 310.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 22016689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).