4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol

C16H24O — CID 115419566

IUPAC4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCCC1(O)CCC(C)c2ccccc21
InChIInChI=1S/C16H24O/c1-3-4-7-11-16(17)12-10-13(2)14-8-5-6-9-15(14)16/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3
InChIKeyAWWYYZRHQFTZRV-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.35
Rot. Bonds4

About 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol

4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 115419566) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID115419566
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCCC1(O)CCC(C)c2ccccc21
InChIInChI=1S/C16H24O/c1-3-4-7-11-16(17)12-10-13(2)14-8-5-6-9-15(14)16/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3
InChIKeyAWWYYZRHQFTZRV-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419755
5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 54036827
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
1-[(2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419563
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419578
1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419671
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 82870214
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985
1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419809

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol (CID 115419566) is 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol is CCCCCC1(O)CCC(C)c2ccccc21.
What is the InChIKey of 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is AWWYYZRHQFTZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-4-7-11-16(17)12-10-13(2)14-8-5-6-9-15(14)16/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3.
What are the key properties of 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol?
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 115419566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).