1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol

C18H18O2 — CID 154116658

IUPAC1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol
SMILESC=CC1(O)CCCc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C18H18O2/c1-2-18(19)12-6-7-14-13-16(10-11-17(14)18)20-15-8-4-3-5-9-15/h2-5,8-11,13,19H,1,6-7,12H2
InChIKeyQTPRGZFMVMCVDY-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.19
Rot. Bonds3

About 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol

1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 154116658) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID154116658
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol
SMILESC=CC1(O)CCCc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C18H18O2/c1-2-18(19)12-6-7-14-13-16(10-11-17(14)18)20-15-8-4-3-5-9-15/h2-5,8-11,13,19H,1,6-7,12H2
InChIKeyQTPRGZFMVMCVDY-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 162911298
(4S)-3'-bromo-7-phenoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]
CID 58134961
1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol
CID 129090086
1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 70497227
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
3-phenoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62730603
5-ethenyl-8-methoxy-3,4-dihydro-2H-1-benzothiepin-5-ol
CID 165353897
(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 129386416
CID 159259752
CID 159259752
5-chloro-3-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63512515
2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
CID 166626286
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 23433219

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol (CID 154116658) is 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol is C=CC1(O)CCCc2cc(Oc3ccccc3)ccc21.
What is the InChIKey of 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is QTPRGZFMVMCVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-18(19)12-6-7-14-13-16(10-11-17(14)18)20-15-8-4-3-5-9-15/h2-5,8-11,13,19H,1,6-7,12H2.
What are the key properties of 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol?
1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 266.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 154116658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).