2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride

C15H15ClO — CID 141017293

IUPAC2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
SMILESCC1CCc2c(ccc3ccccc23)C1=O.Cl
InChIInChI=1S/C15H14O.ClH/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15(10)16;/h2-5,7,9-10H,6,8H2,1H3;1H
InChIKeyIQCOQDCBXVRDMX-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.03
Rot. Bonds

About 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride

2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride (PubChem CID 141017293) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
PubChem CID141017293
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
SMILESCC1CCc2c(ccc3ccccc23)C1=O.Cl
InChIInChI=1S/C15H14O.ClH/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15(10)16;/h2-5,7,9-10H,6,8H2,1H3;1H
InChIKeyIQCOQDCBXVRDMX-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
CID 6977247
methyl 1-oxo-3,4-dihydro-2H-phenanthrene-2-sulfonate
CID 24975192
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
2-chloro-4H-phenanthrene-1,3-dione
CID 70480508
1-methyl-1,2,11,12-tetrahydrochrysene
CID 174752179
3-methyl-5-thiatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),3,11,13,15,17-heptaen-7-one
CID 102581784
methyl 3,4-dihydrophenanthrene-1-carboxylate
CID 601807
2-methyl-2H-phenanthren-1-one
CID 154182792
4-[(dimethylamino)methyl]-3,4-dihydro-2H-benzo[i][1]benzoxepin-5-one
CID 82247336
8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 159418774
2-methyl-2-(2-phenylethylamino)-3,4-dihydrophenanthren-1-one
CID 70167145
(2-butoxy-3,4-dihydro-2H-chrysen-1-ylidene)methanone
CID 175259121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride?
The IUPAC name of 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride (CID 141017293) is 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride is CC1CCc2c(ccc3ccccc23)C1=O.Cl.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride?
The InChIKey is IQCOQDCBXVRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.ClH/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15(10)16;/h2-5,7,9-10H,6,8H2,1H3;1H.
What are the key properties of 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride?
2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride is sourced from PubChem (CID 141017293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).