1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene

C18H22 — CID 613986

IUPAC1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene
SMILESCC(C)c1ccc2c3c(ccc2c1)C(C)CCC3
InChIInChI=1S/C18H22/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h7-13H,4-6H2,1-3H3
InChIKeyPEGDXOHRNDHEEB-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.40
Rot. Bonds1

About 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene

1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene (PubChem CID 613986) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene
PubChem CID613986
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene
SMILESCC(C)c1ccc2c3c(ccc2c1)C(C)CCC3
InChIInChI=1S/C18H22/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h7-13H,4-6H2,1-3H3
InChIKeyPEGDXOHRNDHEEB-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
7,12-Dimethylbenz(a)anthracene
CID 6001
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Benzo(B)Fluoranthene
CID 9153

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene (CID 613986) is 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene is CC(C)c1ccc2c3c(ccc2c1)C(C)CCC3.
What is the InChIKey of 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is PEGDXOHRNDHEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h7-13H,4-6H2,1-3H3.
What are the key properties of 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene?
1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 238.37 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-yl-1,2,3,4-tetrahydrophenanthrene is sourced from PubChem (CID 613986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).