1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone

C17H24O2 — CID 3017916

IUPAC1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
SMILESCOc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C17H24O2/c1-11(18)12-9-13-14(10-15(12)19-6)17(4,5)8-7-16(13,2)3/h9-10H,7-8H2,1-6H3
InChIKeyBKNUXXFUQHTKHP-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.25
Rot. Bonds2

About 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone

1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone (PubChem CID 3017916) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
PubChem CID3017916
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
SMILESCOc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C17H24O2/c1-11(18)12-9-13-14(10-15(12)19-6)17(4,5)8-7-16(13,2)3/h9-10H,7-8H2,1-6H3
InChIKeyBKNUXXFUQHTKHP-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enal
CID 10565161
7-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid
CID 54366013
1-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-2-methoxyphenyl]ethanone
CID 157170321
[(2S,4aS,10aR)-7-acetyl-6-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl] acetate
CID 127038495
bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 22992387
methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 142634748
5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid
CID 117348722
(3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate
CID 10927765
1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone
CID 174193299
1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
5-fluoro-6-[3-(methoxymethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]octa-3,5-dien-2-one
CID 85435461

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone (CID 3017916) is 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone is COc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C.
What is the InChIKey of 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone?
The InChIKey is BKNUXXFUQHTKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-11(18)12-9-13-14(10-15(12)19-6)17(4,5)8-7-16(13,2)3/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone?
1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 3017916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).