1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C15H18O2 — CID 14147378

IUPAC1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESC=CCOc1cc2c(cc1C(C)=O)CCCC2
InChIInChI=1S/C15H18O2/c1-3-8-17-15-10-13-7-5-4-6-12(13)9-14(15)11(2)16/h3,9-10H,1,4-8H2,2H3
InChIKeyQRWBPDUXSSQMKA-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.33
Rot. Bonds4

About 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 14147378) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID14147378
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESC=CCOc1cc2c(cc1C(C)=O)CCCC2
InChIInChI=1S/C15H18O2/c1-3-8-17-15-10-13-7-5-4-6-12(13)9-14(15)11(2)16/h3,9-10H,1,4-8H2,2H3
InChIKeyQRWBPDUXSSQMKA-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 165345844
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
1-[5-(oxan-2-yloxy)-2-prop-2-enoxyphenyl]ethanone
CID 12566051
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 83988269
methyl 3-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
CID 54181784
1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58928828
4-methyl-6-prop-2-enoxybenzene-1,3-dicarboxylic acid
CID 174467591
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388
prop-2-enyl 2-acetyl-4-aminobenzoate
CID 70486883
1-[5-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]ethanone
CID 63531904
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 14147378) is 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is C=CCOc1cc2c(cc1C(C)=O)CCCC2.
What is the InChIKey of 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is QRWBPDUXSSQMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-8-17-15-10-13-7-5-4-6-12(13)9-14(15)11(2)16/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 230.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 14147378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).