(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol

C12H14O2 — CID 162911298

IUPAC(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol
SMILESC=C[C@]1(O)CCCc2cc(O)ccc21
InChIInChI=1S/C12H14O2/c1-2-12(14)7-3-4-9-8-10(13)5-6-11(9)12/h2,5-6,8,13-14H,1,3-4,7H2/t12-/m0/s1
InChIKeyUDWAOIOCDQAPLD-LBPRGKRZSA-N
MW190.24 g/mol
LogP2.10
Rot. Bonds1

About (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol

(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol (PubChem CID 162911298) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol.

Molecular Properties

Compound Name(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol
PubChem CID162911298
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol
SMILESC=C[C@]1(O)CCCc2cc(O)ccc21
InChIInChI=1S/C12H14O2/c1-2-12(14)7-3-4-9-8-10(13)5-6-11(9)12/h2,5-6,8,13-14H,1,3-4,7H2/t12-/m0/s1
InChIKeyUDWAOIOCDQAPLD-LBPRGKRZSA-N
XLogP2.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.10
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

1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 130032329
1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 154116658
1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde
CID 105437335
6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
CID 25264851
4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 86218651
(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 129386416
1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
CID 105438625
spiro[7,8-dihydro-6H-naphthalene-5,3'-pyrrolidine]-2-ol;hydrobromide
CID 12630010
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
CID 12702349
1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 105461504
6-aminospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-2-ol
CID 115057087

Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol?
The IUPAC name of (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol (CID 162911298) is (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol.
What is the SMILES notation for (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol?
The canonical SMILES for (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol is C=C[C@]1(O)CCCc2cc(O)ccc21.
What is the InChIKey of (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol?
The InChIKey is UDWAOIOCDQAPLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(14)7-3-4-9-8-10(13)5-6-11(9)12/h2,5-6,8,13-14H,1,3-4,7H2/t12-/m0/s1.
What are the key properties of (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol?
(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol has a molecular weight of 190.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol is sourced from PubChem (CID 162911298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).