1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone

C17H20O2 — CID 142233424

IUPAC1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone
SMILESCOc1ccc2c(c1)C1CCCC(C(C)=O)=C1CC2
InChIInChI=1S/C17H20O2/c1-11(18)14-4-3-5-15-16(14)9-7-12-6-8-13(19-2)10-17(12)15/h6,8,10,15H,3-5,7,9H2,1-2H3
InChIKeyGZESOYUKHZBUMS-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.79
Rot. Bonds2

About 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone

1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone (PubChem CID 142233424) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone
PubChem CID142233424
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone
SMILESCOc1ccc2c(c1)C1CCCC(C(C)=O)=C1CC2
InChIInChI=1S/C17H20O2/c1-11(18)14-4-3-5-15-16(14)9-7-12-6-8-13(19-2)10-17(12)15/h6,8,10,15H,3-5,7,9H2,1-2H3
InChIKeyGZESOYUKHZBUMS-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 138972518
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 86306624
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79247936
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79248400
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone?
The IUPAC name of 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone (CID 142233424) is 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone is COc1ccc2c(c1)C1CCCC(C(C)=O)=C1CC2.
What is the InChIKey of 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone?
The InChIKey is GZESOYUKHZBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-11(18)14-4-3-5-15-16(14)9-7-12-6-8-13(19-2)10-17(12)15/h6,8,10,15H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone?
1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone has a molecular weight of 256.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone is sourced from PubChem (CID 142233424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).