3,4-dimethylnaphthalen-1-ol

C12H12O — CID 15915434

IUPAC3,4-dimethylnaphthalen-1-ol
SMILESCc1cc(O)c2ccccc2c1C
InChIInChI=1S/C12H12O/c1-8-7-12(13)11-6-4-3-5-10(11)9(8)2/h3-7,13H,1-2H3
InChIKeyKHKLHLMLAHHODS-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.16
Rot. Bonds

About 3,4-dimethylnaphthalen-1-ol

3,4-dimethylnaphthalen-1-ol (PubChem CID 15915434) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 3,4-dimethylnaphthalen-1-ol.

Molecular Properties

Compound Name3,4-dimethylnaphthalen-1-ol
PubChem CID15915434
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name3,4-dimethylnaphthalen-1-ol
SMILESCc1cc(O)c2ccccc2c1C
InChIInChI=1S/C12H12O/c1-8-7-12(13)11-6-4-3-5-10(11)9(8)2/h3-7,13H,1-2H3
InChIKeyKHKLHLMLAHHODS-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-(2-methylphenyl)naphthalen-1-ol
CID 15529587
3,4,5-trimethylnaphthalen-1-ol
CID 54424732
3-methyl-4-propan-2-ylnaphthalen-1-ol
CID 163727490
acetic acid;2-methylnaphthalene-1,4-diol
CID 57358360
ethane;1-methoxy-4-methylnaphthalen-2-ol
CID 142864573
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate
CID 70120911
1,2-dimethyl-9H-carbazol-4-ol
CID 91664822
ethane;2,3,9,10-tetramethylanthracene
CID 143843330
4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene
CID 144768784
2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile
CID 53376360

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylnaphthalen-1-ol?
The IUPAC name of 3,4-dimethylnaphthalen-1-ol (CID 15915434) is 3,4-dimethylnaphthalen-1-ol.
What is the SMILES notation for 3,4-dimethylnaphthalen-1-ol?
The canonical SMILES for 3,4-dimethylnaphthalen-1-ol is Cc1cc(O)c2ccccc2c1C.
What is the InChIKey of 3,4-dimethylnaphthalen-1-ol?
The InChIKey is KHKLHLMLAHHODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-8-7-12(13)11-6-4-3-5-10(11)9(8)2/h3-7,13H,1-2H3.
What are the key properties of 3,4-dimethylnaphthalen-1-ol?
3,4-dimethylnaphthalen-1-ol has a molecular weight of 172.23 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylnaphthalen-1-ol is sourced from PubChem (CID 15915434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).