9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one

C18H20O2 — CID 10355691

IUPAC9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one
SMILESCc1cc2ccc3c(c2cc(=O)c1O)CCCC3(C)C
InChIInChI=1S/C18H20O2/c1-11-9-12-6-7-15-13(5-4-8-18(15,2)3)14(12)10-16(19)17(11)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyQATRODNHXVHGNU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.83
Rot. Bonds

About 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one

9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one (PubChem CID 10355691) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one.

Molecular Properties

Compound Name9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one
PubChem CID10355691
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one
SMILESCc1cc2ccc3c(c2cc(=O)c1O)CCCC3(C)C
InChIInChI=1S/C18H20O2/c1-11-9-12-6-7-15-13(5-4-8-18(15,2)3)14(12)10-16(19)17(11)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyQATRODNHXVHGNU-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one?
The IUPAC name of 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one (CID 10355691) is 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one.
What is the SMILES notation for 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one?
The canonical SMILES for 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one is Cc1cc2ccc3c(c2cc(=O)c1O)CCCC3(C)C.
What is the InChIKey of 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one?
The InChIKey is QATRODNHXVHGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-11-9-12-6-7-15-13(5-4-8-18(15,2)3)14(12)10-16(19)17(11)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one?
9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one has a molecular weight of 268.36 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one is sourced from PubChem (CID 10355691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).