(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one

C15H14O — CID 14940541

IUPAC(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
SMILESC[C@@H]1CCc2ccc3ccccc3c2C1=O
InChIInChI=1S/C15H14O/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(12)15(10)16/h2-5,8-10H,6-7H2,1H3/t10-/m1/s1
InChIKeyAPJCTGMMBSJFAU-SNVBAGLBSA-N
MW210.28 g/mol
LogP3.60
Rot. Bonds

About (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one

(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one (PubChem CID 14940541) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one.

Molecular Properties

Compound Name(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
PubChem CID14940541
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
SMILESC[C@@H]1CCc2ccc3ccccc3c2C1=O
InChIInChI=1S/C15H14O/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(12)15(10)16/h2-5,8-10H,6-7H2,1H3/t10-/m1/s1
InChIKeyAPJCTGMMBSJFAU-SNVBAGLBSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one
CID 143069879
2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
CID 141017293
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
2-methyl-1-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-2,3-dihydrocyclopenta[a]naphthalene
CID 5245935
(3R)-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 163151559
2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
CID 143073531
(15E)-13,18-dimethyl-13,15,16,18-tetrazapentacyclo[18.8.0.02,11.03,8.023,28]octacosa-1(20),2(11),3,5,7,9,15,21,23,25,27-undecaene-14,17-dione
CID 10717111
3H-cyclopenta[a]naphthalene-1,2-dione
CID 67055632
13-methyl-13-phenyl-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 18929281
7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one
CID 59052981
13-methyl-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 100921438

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one?
The IUPAC name of (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one (CID 14940541) is (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one.
What is the SMILES notation for (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one?
The canonical SMILES for (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one is C[C@@H]1CCc2ccc3ccccc3c2C1=O.
What is the InChIKey of (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one?
The InChIKey is APJCTGMMBSJFAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14O/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(12)15(10)16/h2-5,8-10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one?
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one has a molecular weight of 210.28 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one is sourced from PubChem (CID 14940541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).