1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol

C16H18O — CID 79837865

IUPAC1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol
SMILESCc1cc2c(c3ccccc13)C(C)(C)CC2O
InChIInChI=1S/C16H18O/c1-10-8-13-14(17)9-16(2,3)15(13)12-7-5-4-6-11(10)12/h4-8,14,17H,9H2,1-3H3
InChIKeyUQDGSXIANFNWBH-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.86
Rot. Bonds

About 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol

1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol (PubChem CID 79837865) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol.

Molecular Properties

Compound Name1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol
PubChem CID79837865
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol
SMILESCc1cc2c(c3ccccc13)C(C)(C)CC2O
InChIInChI=1S/C16H18O/c1-10-8-13-14(17)9-16(2,3)15(13)12-7-5-4-6-11(10)12/h4-8,14,17H,9H2,1-3H3
InChIKeyUQDGSXIANFNWBH-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol?
The IUPAC name of 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol (CID 79837865) is 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol.
What is the SMILES notation for 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol?
The canonical SMILES for 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol is Cc1cc2c(c3ccccc13)C(C)(C)CC2O.
What is the InChIKey of 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol?
The InChIKey is UQDGSXIANFNWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-10-8-13-14(17)9-16(2,3)15(13)12-7-5-4-6-11(10)12/h4-8,14,17H,9H2,1-3H3.
What are the key properties of 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol?
1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol has a molecular weight of 226.32 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol is sourced from PubChem (CID 79837865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).