ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene

C22H28 — CID 143675251

IUPACethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene
SMILESC=C(C)c1c(CCC)ccc2c3c(ccc12)CCC=C3.CC
InChIInChI=1S/C20H22.C2H6/c1-4-7-16-11-12-18-17-9-6-5-8-15(17)10-13-19(18)20(16)14(2)3;1-2/h6,9-13H,2,4-5,7-8H2,1,3H3;1-2H3
InChIKeyCIYRODJZAOQUNJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.81
Rot. Bonds3

About ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene

ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene (PubChem CID 143675251) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene.

Molecular Properties

Compound Nameethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene
PubChem CID143675251
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Nameethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene
SMILESC=C(C)c1c(CCC)ccc2c3c(ccc12)CCC=C3.CC
InChIInChI=1S/C20H22.C2H6/c1-4-7-16-11-12-18-17-9-6-5-8-15(17)10-13-19(18)20(16)14(2)3;1-2/h6,9-13H,2,4-5,7-8H2,1,3H3;1-2H3
InChIKeyCIYRODJZAOQUNJ-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dihydrophenanthrene;methane
CID 142233557
CID 175958969
CID 175958969
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N-(5,6-dihydronaphthalen-1-ylmethyl)propanamide
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CID 174887506
4-propyl-1H-indene
CID 18314956
4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene
CID 138486357
1-ethyl-5,6-dihydroisoquinoline
CID 174496014
1-(7-propyl-1,2,3,4-tetrahydroquinolin-8-yl)ethanone
CID 101457078
(Z)-2-(aminomethyl)-4-(7,8-dihydrophenanthren-2-yl)-4-ethoxy-1,1,1-trifluorobut-3-en-2-ol;ethane
CID 142283886

Frequently Asked Questions

What is the IUPAC name of ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene?
The IUPAC name of ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene (CID 143675251) is ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene.
What is the SMILES notation for ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene?
The canonical SMILES for ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene is C=C(C)c1c(CCC)ccc2c3c(ccc12)CCC=C3.CC.
What is the InChIKey of ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene?
The InChIKey is CIYRODJZAOQUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22.C2H6/c1-4-7-16-11-12-18-17-9-6-5-8-15(17)10-13-19(18)20(16)14(2)3;1-2/h6,9-13H,2,4-5,7-8H2,1,3H3;1-2H3.
What are the key properties of ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene?
ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene has a molecular weight of 292.47 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-prop-1-en-2-yl-7-propyl-1,2-dihydrophenanthrene is sourced from PubChem (CID 143675251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).