(6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone

C18H16O3 — CID 18690203

IUPAC(6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone
SMILESCC1=C(C(=O)c2ccc(O)cc2)CCc2cc(O)ccc21
InChIInChI=1S/C18H16O3/c1-11-16-9-7-15(20)10-13(16)4-8-17(11)18(21)12-2-5-14(19)6-3-12/h2-3,5-7,9-10,19-20H,4,8H2,1H3
InChIKeyDWODZYGSRXJZCB-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.70
Rot. Bonds2

About (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone

(6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone (PubChem CID 18690203) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone
PubChem CID18690203
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone
SMILESCC1=C(C(=O)c2ccc(O)cc2)CCc2cc(O)ccc21
InChIInChI=1S/C18H16O3/c1-11-16-9-7-15(20)10-13(16)4-8-17(11)18(21)12-2-5-14(19)6-3-12/h2-3,5-7,9-10,19-20H,4,8H2,1H3
InChIKeyDWODZYGSRXJZCB-UHFFFAOYSA-N
XLogP3.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9,10-dihydrophenanthrene-2,6-diol
CID 163031531
2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid
CID 105490846
2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 11959102
9,10-dihydrophenanthren-2-ol;ethane
CID 91093084
1-[6-(2-chloro-4-methylphenyl)-5-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]ethanone
CID 170293356
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118619357
bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone
CID 159747693
(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 19890098
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone
CID 141482327
4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
CID 175428259
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone (CID 18690203) is (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone is CC1=C(C(=O)c2ccc(O)cc2)CCc2cc(O)ccc21.
What is the InChIKey of (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is DWODZYGSRXJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11-16-9-7-15(20)10-13(16)4-8-17(11)18(21)12-2-5-14(19)6-3-12/h2-3,5-7,9-10,19-20H,4,8H2,1H3.
What are the key properties of (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone?
(6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 280.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1-methyl-3,4-dihydronaphthalen-2-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 18690203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).