(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol

C15H22O — CID 176704154

IUPAC(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol
SMILESCCC1(CC)c2ccccc2CCC1CO
InChIInChI=1S/C15H22O/c1-3-15(4-2)13(11-16)10-9-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyOSDQOXCYGHEEGB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.30
Rot. Bonds3

About (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol

(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol (PubChem CID 176704154) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol.

Molecular Properties

Compound Name(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol
PubChem CID176704154
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol
SMILESCCC1(CC)c2ccccc2CCC1CO
InChIInChI=1S/C15H22O/c1-3-15(4-2)13(11-16)10-9-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyOSDQOXCYGHEEGB-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol?
The IUPAC name of (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol (CID 176704154) is (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol.
What is the SMILES notation for (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol?
The canonical SMILES for (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol is CCC1(CC)c2ccccc2CCC1CO.
What is the InChIKey of (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol?
The InChIKey is OSDQOXCYGHEEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-15(4-2)13(11-16)10-9-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3.
What are the key properties of (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol?
(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol has a molecular weight of 218.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol is sourced from PubChem (CID 176704154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).