6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol

C14H14O2 — CID 167237943

IUPAC6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
SMILESC=C(C)C(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H14O2/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-8,14-16H,1H2,2H3
InChIKeyNSNXSQDAVCETAD-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.15
Rot. Bonds2

About 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol

6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol (PubChem CID 167237943) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
PubChem CID167237943
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
SMILESC=C(C)C(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H14O2/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-8,14-16H,1H2,2H3
InChIKeyNSNXSQDAVCETAD-UHFFFAOYSA-N
XLogP3.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(1R)-1-amino-3-methylbut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171201666
6-(1-iodoethyl)naphthalen-2-ol
CID 147688563
6-prop-1-en-2-yloxynaphthalen-2-ol
CID 58445580
1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115527715
6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
CID 171267170
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115817275
1-(6-hydroxynaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820620
1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79189676
sodium;hydride;naphthalene-2,6-diol
CID 174639769
6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
CID 171287800
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
CID 171275172
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol?
The IUPAC name of 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol (CID 167237943) is 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol.
What is the SMILES notation for 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol?
The canonical SMILES for 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol is C=C(C)C(O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol?
The InChIKey is NSNXSQDAVCETAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-8,14-16H,1H2,2H3.
What are the key properties of 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol?
6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol has a molecular weight of 214.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol is sourced from PubChem (CID 167237943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).