1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone

C18H20O — CID 101076430

IUPAC1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone
SMILESCC(=O)c1ccc2c3c(cc(C)c2c1)C(C)CCC3
InChIInChI=1S/C18H20O/c1-11-5-4-6-15-16-8-7-14(13(3)19)10-18(16)12(2)9-17(11)15/h7-11H,4-6H2,1-3H3
InChIKeyUFYPYAVKEGVAMA-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.79
Rot. Bonds1

About 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone

1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone (PubChem CID 101076430) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone.

Molecular Properties

Compound Name1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone
PubChem CID101076430
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone
SMILESCC(=O)c1ccc2c3c(cc(C)c2c1)C(C)CCC3
InChIInChI=1S/C18H20O/c1-11-5-4-6-15-16-8-7-14(13(3)19)10-18(16)12(2)9-17(11)15/h7-11H,4-6H2,1-3H3
InChIKeyUFYPYAVKEGVAMA-UHFFFAOYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246462
1-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246497
5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 168737750
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 130615296
benzoyl benzoate;1-methyl-1,2,3,4-tetrahydrochrysene
CID 174434035
4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine
CID 174607280
3,7-dimethyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline-5-sulfinic acid
CID 156549182
1-chloro-1,2,3,4-tetrahydrochrysene;1-phenylethanone
CID 174825712
4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid
CID 67720642
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
5-ethenyl-1,7-dimethyl-6-(2-methylprop-1-enyl)-1,2,3,4-tetrahydronaphthalene;methanethiol;propane
CID 156799823
1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
CID 53423517

Frequently Asked Questions

What is the IUPAC name of 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone?
The IUPAC name of 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone (CID 101076430) is 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone.
What is the SMILES notation for 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone?
The canonical SMILES for 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone is CC(=O)c1ccc2c3c(cc(C)c2c1)C(C)CCC3.
What is the InChIKey of 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone?
The InChIKey is UFYPYAVKEGVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-11-5-4-6-15-16-8-7-14(13(3)19)10-18(16)12(2)9-17(11)15/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone?
1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone has a molecular weight of 252.36 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,10-dimethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone is sourced from PubChem (CID 101076430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).