ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C12H16O2 — CID 54451343

IUPACethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCC.O=C1CCCc2ccc(O)cc21
InChIInChI=1S/C10H10O2.C2H6/c11-8-5-4-7-2-1-3-10(12)9(7)6-8;1-2/h4-6,11H,1-3H2;1-2H3
InChIKeyWVEWFUINMGTDRS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.94
Rot. Bonds

About ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one

ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 54451343) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Nameethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID54451343
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCC.O=C1CCCc2ccc(O)cc21
InChIInChI=1S/C10H10O2.C2H6/c11-8-5-4-7-2-1-3-10(12)9(7)6-8;1-2/h4-6,11H,1-3H2;1-2H3
InChIKeyWVEWFUINMGTDRS-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 11959102
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
7-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54195655
7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one
CID 15224570
7-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-one;ethane
CID 90773598
ethane;2-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetic acid
CID 143844110
(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid
CID 59438354
7-[(5-acetyl-2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;1-[4-bromo-3-(bromomethyl)phenyl]ethanone;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;methane
CID 161254568
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
CID 14985976
3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)prop-2-enoic acid
CID 169460890
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol
CID 143989127

Frequently Asked Questions

What is the IUPAC name of ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 54451343) is ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one is CC.O=C1CCCc2ccc(O)cc21.
What is the InChIKey of ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WVEWFUINMGTDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H6/c11-8-5-4-7-2-1-3-10(12)9(7)6-8;1-2/h4-6,11H,1-3H2;1-2H3.
What are the key properties of ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 54451343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).