2-methyl-3-naphthalen-1-ylpropan-1-ol

C14H16O — CID 19851497

IUPAC2-methyl-3-naphthalen-1-ylpropan-1-ol
SMILESCC(CO)Cc1cccc2ccccc12
InChIInChI=1S/C14H16O/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15H,9-10H2,1H3
InChIKeySHIFEQUXADCRQX-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-3-naphthalen-1-ylpropan-1-ol

2-methyl-3-naphthalen-1-ylpropan-1-ol (PubChem CID 19851497) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-naphthalen-1-ylpropan-1-ol
PubChem CID19851497
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-methyl-3-naphthalen-1-ylpropan-1-ol
SMILESCC(CO)Cc1cccc2ccccc12
InChIInChI=1S/C14H16O/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15H,9-10H2,1H3
InChIKeySHIFEQUXADCRQX-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-3-naphthalen-1-ylpropan-1-ol (CID 19851497) is 2-methyl-3-naphthalen-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-naphthalen-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-3-naphthalen-1-ylpropan-1-ol is CC(CO)Cc1cccc2ccccc12.
What is the InChIKey of 2-methyl-3-naphthalen-1-ylpropan-1-ol?
The InChIKey is SHIFEQUXADCRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15H,9-10H2,1H3.
What are the key properties of 2-methyl-3-naphthalen-1-ylpropan-1-ol?
2-methyl-3-naphthalen-1-ylpropan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-1-ylpropan-1-ol is sourced from PubChem (CID 19851497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).