3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol

C14H20O2 — CID 168679698

IUPAC3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCc1c(CO)c(O)cc2c1CCCC2(C)C
InChIInChI=1S/C14H20O2/c1-9-10-5-4-6-14(2,3)12(10)7-13(16)11(9)8-15/h7,15-16H,4-6,8H2,1-3H3
InChIKeyTVANSUWJOPMMPU-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.81
Rot. Bonds1

About 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol

3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 168679698) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID168679698
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCc1c(CO)c(O)cc2c1CCCC2(C)C
InChIInChI=1S/C14H20O2/c1-9-10-5-4-6-14(2,3)12(10)7-13(16)11(9)8-15/h7,15-16H,4-6,8H2,1-3H3
InChIKeyTVANSUWJOPMMPU-UHFFFAOYSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol (CID 168679698) is 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol is Cc1c(CO)c(O)cc2c1CCCC2(C)C.
What is the InChIKey of 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is TVANSUWJOPMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-10-5-4-6-14(2,3)12(10)7-13(16)11(9)8-15/h7,15-16H,4-6,8H2,1-3H3.
What are the key properties of 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol?
3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 168679698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).