1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol

C13H18O — CID 115010757

IUPAC1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
SMILESCc1ccc2c(c1)C(C)(C)C(O)CC2
InChIInChI=1S/C13H18O/c1-9-4-5-10-6-7-12(14)13(2,3)11(10)8-9/h4-5,8,12,14H,6-7H2,1-3H3
InChIKeyAPNTWNNOIJPNST-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.58
Rot. Bonds

About 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol

1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol (PubChem CID 115010757) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
PubChem CID115010757
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
SMILESCc1ccc2c(c1)C(C)(C)C(O)CC2
InChIInChI=1S/C13H18O/c1-9-4-5-10-6-7-12(14)13(2,3)11(10)8-9/h4-5,8,12,14H,6-7H2,1-3H3
InChIKeyAPNTWNNOIJPNST-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol?
The IUPAC name of 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol (CID 115010757) is 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol.
What is the SMILES notation for 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol?
The canonical SMILES for 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol is Cc1ccc2c(c1)C(C)(C)C(O)CC2.
What is the InChIKey of 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol?
The InChIKey is APNTWNNOIJPNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-4-5-10-6-7-12(14)13(2,3)11(10)8-9/h4-5,8,12,14H,6-7H2,1-3H3.
What are the key properties of 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol?
1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol has a molecular weight of 190.29 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol is sourced from PubChem (CID 115010757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).