7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol

C13H18O2 — CID 144629236

IUPAC7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
SMILESCC1(C)CC(O)Cc2cc(CO)ccc21
InChIInChI=1S/C13H18O2/c1-13(2)7-11(15)6-10-5-9(8-14)3-4-12(10)13/h3-5,11,14-15H,6-8H2,1-2H3
InChIKeyDTXGNFCAQWJONN-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.76
Rot. Bonds1

About 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol

7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol (PubChem CID 144629236) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
PubChem CID144629236
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
SMILESCC1(C)CC(O)Cc2cc(CO)ccc21
InChIInChI=1S/C13H18O2/c1-13(2)7-11(15)6-10-5-9(8-14)3-4-12(10)13/h3-5,11,14-15H,6-8H2,1-2H3
InChIKeyDTXGNFCAQWJONN-UHFFFAOYSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol (CID 144629236) is 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol is CC1(C)CC(O)Cc2cc(CO)ccc21.
What is the InChIKey of 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The InChIKey is DTXGNFCAQWJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)7-11(15)6-10-5-9(8-14)3-4-12(10)13/h3-5,11,14-15H,6-8H2,1-2H3.
What are the key properties of 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol has a molecular weight of 206.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 144629236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).