3,4,4-trimethyl-3H-naphthalen-1-ol

C13H16O — CID 91665401

IUPAC3,4,4-trimethyl-3H-naphthalen-1-ol
SMILESCC1C=C(O)c2ccccc2C1(C)C
InChIInChI=1S/C13H16O/c1-9-8-12(14)10-6-4-5-7-11(10)13(9,2)3/h4-9,14H,1-3H3
InChIKeyPSTGXUPRRPXROQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.51
Rot. Bonds

About 3,4,4-trimethyl-3H-naphthalen-1-ol

3,4,4-trimethyl-3H-naphthalen-1-ol (PubChem CID 91665401) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3,4,4-trimethyl-3H-naphthalen-1-ol.

Molecular Properties

Compound Name3,4,4-trimethyl-3H-naphthalen-1-ol
PubChem CID91665401
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3,4,4-trimethyl-3H-naphthalen-1-ol
SMILESCC1C=C(O)c2ccccc2C1(C)C
InChIInChI=1S/C13H16O/c1-9-8-12(14)10-6-4-5-7-11(10)13(9,2)3/h4-9,14H,1-3H3
InChIKeyPSTGXUPRRPXROQ-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18402685
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methane;9-methylfluoren-9-ol
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(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
CID 18728941
1-tert-butyl-2,3,3-trimethyl-2H-indole
CID 162296328
5,6,6-trimethyl-5H-benzo[h]quinoline
CID 170777086
(3'R)-3'-methylspiro[fluorene-9,2'-oxirane]
CID 101107078
(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]
CID 153440114
ethane;9-methoxy-9-methylfluorene
CID 91285741
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
6,10,10-trimethyl-6H-benzo[a]azulene
CID 142402949

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-3H-naphthalen-1-ol?
The IUPAC name of 3,4,4-trimethyl-3H-naphthalen-1-ol (CID 91665401) is 3,4,4-trimethyl-3H-naphthalen-1-ol.
What is the SMILES notation for 3,4,4-trimethyl-3H-naphthalen-1-ol?
The canonical SMILES for 3,4,4-trimethyl-3H-naphthalen-1-ol is CC1C=C(O)c2ccccc2C1(C)C.
What is the InChIKey of 3,4,4-trimethyl-3H-naphthalen-1-ol?
The InChIKey is PSTGXUPRRPXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-8-12(14)10-6-4-5-7-11(10)13(9,2)3/h4-9,14H,1-3H3.
What are the key properties of 3,4,4-trimethyl-3H-naphthalen-1-ol?
3,4,4-trimethyl-3H-naphthalen-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-3H-naphthalen-1-ol is sourced from PubChem (CID 91665401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).