(8-pentylnaphthalen-1-yl)methanol

C16H20O — CID 101074092

IUPAC(8-pentylnaphthalen-1-yl)methanol
SMILESCCCCCc1cccc2cccc(CO)c12
InChIInChI=1S/C16H20O/c1-2-3-4-7-13-8-5-9-14-10-6-11-15(12-17)16(13)14/h5-6,8-11,17H,2-4,7,12H2,1H3
InChIKeyATGHFNQJYAMMBL-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.06
Rot. Bonds5

About (8-pentylnaphthalen-1-yl)methanol

(8-pentylnaphthalen-1-yl)methanol (PubChem CID 101074092) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (8-pentylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(8-pentylnaphthalen-1-yl)methanol
PubChem CID101074092
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(8-pentylnaphthalen-1-yl)methanol
SMILESCCCCCc1cccc2cccc(CO)c12
InChIInChI=1S/C16H20O/c1-2-3-4-7-13-8-5-9-14-10-6-11-15(12-17)16(13)14/h5-6,8-11,17H,2-4,7,12H2,1H3
InChIKeyATGHFNQJYAMMBL-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.06
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

(8-ethylnaphthalen-1-yl)methanol
CID 59514335
(2-octylphenyl)methanol
CID 19826681
1-tetradecylnaphthalene
CID 14402128
potassium;hydride;1-octylnaphthalene
CID 173443599
1-pentylnaphthalene;sulfuric acid
CID 172842201
2-(hydroxymethyl)-3-icosylphenol
CID 54519550
4-ethyl-1,5-dipentylnaphthalene
CID 90697444
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-octadecylnaphthalene;sulfuric acid
CID 172709808
sodium 8-tridecylnaphthalene-1-sulfonate
CID 101317063
calcium bis(8-decylnaphthalene-1-sulfonate)
CID 101317395

Frequently Asked Questions

What is the IUPAC name of (8-pentylnaphthalen-1-yl)methanol?
The IUPAC name of (8-pentylnaphthalen-1-yl)methanol (CID 101074092) is (8-pentylnaphthalen-1-yl)methanol.
What is the SMILES notation for (8-pentylnaphthalen-1-yl)methanol?
The canonical SMILES for (8-pentylnaphthalen-1-yl)methanol is CCCCCc1cccc2cccc(CO)c12.
What is the InChIKey of (8-pentylnaphthalen-1-yl)methanol?
The InChIKey is ATGHFNQJYAMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-3-4-7-13-8-5-9-14-10-6-11-15(12-17)16(13)14/h5-6,8-11,17H,2-4,7,12H2,1H3.
What are the key properties of (8-pentylnaphthalen-1-yl)methanol?
(8-pentylnaphthalen-1-yl)methanol has a molecular weight of 228.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-pentylnaphthalen-1-yl)methanol is sourced from PubChem (CID 101074092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).