1-heptyl-3-methylnaphthalen-2-ol

C18H24O — CID 135074977

IUPAC1-heptyl-3-methylnaphthalen-2-ol
SMILESCCCCCCCc1c(O)c(C)cc2ccccc12
InChIInChI=1S/C18H24O/c1-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14(2)18(17)19/h8-11,13,19H,3-7,12H2,1-2H3
InChIKeyNFWDFTVTLKUWKB-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.37
Rot. Bonds6

About 1-heptyl-3-methylnaphthalen-2-ol

1-heptyl-3-methylnaphthalen-2-ol (PubChem CID 135074977) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-heptyl-3-methylnaphthalen-2-ol.

Molecular Properties

Compound Name1-heptyl-3-methylnaphthalen-2-ol
PubChem CID135074977
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-heptyl-3-methylnaphthalen-2-ol
SMILESCCCCCCCc1c(O)c(C)cc2ccccc12
InChIInChI=1S/C18H24O/c1-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14(2)18(17)19/h8-11,13,19H,3-7,12H2,1-2H3
InChIKeyNFWDFTVTLKUWKB-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.37
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

1,2,3-trioctylnaphthalene
CID 20513034
3,4-dihexylnaphthalene-2-sulfonic acid
CID 101319395
1-butylnaphthalene-2,3-diol;1,4-dimethylnaphthalene-2,3-diol
CID 67610713
3-dodecylnaphthalene-1,2,4-triol
CID 14672775
3-pentylnaphthalene-1,2-diol
CID 14529620
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
2-undecylnaphthalen-1-ol
CID 139729579
CID 66933436
CID 66933436
CID 162312155
CID 162312155
1,3-dioctylnaphthalene-2-sulfonic acid
CID 101319467
3-hexadecyl-2-hydroxynaphthalene-1-carboxylic acid
CID 21475806

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-methylnaphthalen-2-ol?
The IUPAC name of 1-heptyl-3-methylnaphthalen-2-ol (CID 135074977) is 1-heptyl-3-methylnaphthalen-2-ol.
What is the SMILES notation for 1-heptyl-3-methylnaphthalen-2-ol?
The canonical SMILES for 1-heptyl-3-methylnaphthalen-2-ol is CCCCCCCc1c(O)c(C)cc2ccccc12.
What is the InChIKey of 1-heptyl-3-methylnaphthalen-2-ol?
The InChIKey is NFWDFTVTLKUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14(2)18(17)19/h8-11,13,19H,3-7,12H2,1-2H3.
What are the key properties of 1-heptyl-3-methylnaphthalen-2-ol?
1-heptyl-3-methylnaphthalen-2-ol has a molecular weight of 256.39 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-methylnaphthalen-2-ol is sourced from PubChem (CID 135074977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).