6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one

C17H18O2 — CID 73212506

IUPAC6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one
SMILESCc1cc2ccc3c(c2cc1O)CCC(=O)C3(C)C
InChIInChI=1S/C17H18O2/c1-10-8-11-4-6-14-12(13(11)9-15(10)18)5-7-16(19)17(14,2)3/h4,6,8-9,18H,5,7H2,1-3H3
InChIKeyAFACAVFCDGVGIB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.65
Rot. Bonds

About 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one

6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one (PubChem CID 73212506) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one.

Molecular Properties

Compound Name6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one
PubChem CID73212506
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one
SMILESCc1cc2ccc3c(c2cc1O)CCC(=O)C3(C)C
InChIInChI=1S/C17H18O2/c1-10-8-11-4-6-14-12(13(11)9-15(10)18)5-7-16(19)17(14,2)3/h4,6,8-9,18H,5,7H2,1-3H3
InChIKeyAFACAVFCDGVGIB-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one?
The IUPAC name of 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one (CID 73212506) is 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one.
What is the SMILES notation for 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one?
The canonical SMILES for 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one is Cc1cc2ccc3c(c2cc1O)CCC(=O)C3(C)C.
What is the InChIKey of 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one?
The InChIKey is AFACAVFCDGVGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-10-8-11-4-6-14-12(13(11)9-15(10)18)5-7-16(19)17(14,2)3/h4,6,8-9,18H,5,7H2,1-3H3.
What are the key properties of 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one?
6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one is sourced from PubChem (CID 73212506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).