(4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one

C19H22O2 — CID 134952232

IUPAC(4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one
SMILESCOc1ccc2c(c1C(C)C)CCC1=CC(=O)C=C[C@]12C
InChIInChI=1S/C19H22O2/c1-12(2)18-15-6-5-13-11-14(20)9-10-19(13,3)16(15)7-8-17(18)21-4/h7-12H,5-6H2,1-4H3/t19-/m1/s1
InChIKeyAJJIFITXJVWIFT-LJQANCHMSA-N
MW282.38 g/mol
LogP4.09
Rot. Bonds2

About (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one

(4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one (PubChem CID 134952232) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one.

Molecular Properties

Compound Name(4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one
PubChem CID134952232
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one
SMILESCOc1ccc2c(c1C(C)C)CCC1=CC(=O)C=C[C@]12C
InChIInChI=1S/C19H22O2/c1-12(2)18-15-6-5-13-11-14(20)9-10-19(13,3)16(15)7-8-17(18)21-4/h7-12H,5-6H2,1-4H3/t19-/m1/s1
InChIKeyAJJIFITXJVWIFT-LJQANCHMSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446172
acetic acid;7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
CID 71438247
[(4bS,8aS)-4b,8,8-trimethyl-5-oxo-1-propan-2-yl-7,8a,9,10-tetrahydro-6H-phenanthren-2-yl] acetate
CID 22295951
1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117318371
1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine
CID 170587319
(3,6-dimethoxy-2-propan-2-ylphenyl)methanol
CID 84677821
(5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine
CID 70594699
4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one
CID 10036831
1-(7-methoxy-2,3-dihydro-1H-inden-4-yl)cyclopropan-1-amine
CID 84777430
6,9-dimethoxy-4,5-dihydro-2-benzoxepine-1,3-dione
CID 82159209
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
4a-methyl-7,8-dihydronaphthalen-2-one
CID 20713787

Frequently Asked Questions

What is the IUPAC name of (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one?
The IUPAC name of (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one (CID 134952232) is (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one.
What is the SMILES notation for (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one?
The canonical SMILES for (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one is COc1ccc2c(c1C(C)C)CCC1=CC(=O)C=C[C@]12C.
What is the InChIKey of (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one?
The InChIKey is AJJIFITXJVWIFT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22O2/c1-12(2)18-15-6-5-13-11-14(20)9-10-19(13,3)16(15)7-8-17(18)21-4/h7-12H,5-6H2,1-4H3/t19-/m1/s1.
What are the key properties of (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one?
(4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one has a molecular weight of 282.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-7-methoxy-4a-methyl-8-propan-2-yl-9,10-dihydrophenanthren-2-one is sourced from PubChem (CID 134952232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).