2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran

C19H20O — CID 21339668

IUPAC2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran
SMILESCC1(C)C=Cc2c3c(c4ccccc4c2O1)CCCC3
InChIInChI=1S/C19H20O/c1-19(2)12-11-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)18(17)20-19/h5-6,8,10-12H,3-4,7,9H2,1-2H3
InChIKeyHBSNAVVGTSMREV-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.90
Rot. Bonds

About 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran

2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran (PubChem CID 21339668) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran.

Molecular Properties

Compound Name2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran
PubChem CID21339668
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran
SMILESCC1(C)C=Cc2c3c(c4ccccc4c2O1)CCCC3
InChIInChI=1S/C19H20O/c1-19(2)12-11-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)18(17)20-19/h5-6,8,10-12H,3-4,7,9H2,1-2H3
InChIKeyHBSNAVVGTSMREV-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21339666
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CID 22970322
5-bromo-4,4,10,10-tetramethyl-3,9-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),8(13),11,14,16-hexaene
CID 91144984
2,2,7-trimethylpyrano[3,2-c]chromen-5-one
CID 13045727
tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene
CID 10015487
tetracyclo[6.6.5.02,7.09,14]nonadeca-1,3,5,7,9,11,13-heptaene
CID 14980237
(4-ethylpiperazin-1-yl)-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)methanone
CID 142739977
11-ethyl-3,3,5-trimethylpyrano[3,2-a]carbazole
CID 14191010
10,10-dimethyl-4-nitro-5,11,21-trioxapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2(6),3,7(12),8,14(19)-hexaen-20-one
CID 90677299
ethane;4,4,18,21,21-pentamethyl-3-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene;5,5,18,21,21-pentamethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene
CID 160710445
2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
CID 162658070
9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene
CID 10634606

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran?
The IUPAC name of 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran (CID 21339668) is 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran.
What is the SMILES notation for 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran?
The canonical SMILES for 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran is CC1(C)C=Cc2c3c(c4ccccc4c2O1)CCCC3.
What is the InChIKey of 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran?
The InChIKey is HBSNAVVGTSMREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-19(2)12-11-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)18(17)20-19/h5-6,8,10-12H,3-4,7,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran?
2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran has a molecular weight of 264.37 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran is sourced from PubChem (CID 21339668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).