4-methyl-3,4,5,6-tetrahydrophenanthrene

C15H16 — CID 123289804

IUPAC4-methyl-3,4,5,6-tetrahydrophenanthrene
SMILESCC1CC=Cc2ccc3c(c21)CCC=C3
InChIInChI=1S/C15H16/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13/h2,4,6-7,9-11H,3,5,8H2,1H3
InChIKeyNMCWMQPPDUSHIA-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.17
Rot. Bonds

About 4-methyl-3,4,5,6-tetrahydrophenanthrene

4-methyl-3,4,5,6-tetrahydrophenanthrene (PubChem CID 123289804) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-methyl-3,4,5,6-tetrahydrophenanthrene.

Molecular Properties

Compound Name4-methyl-3,4,5,6-tetrahydrophenanthrene
PubChem CID123289804
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name4-methyl-3,4,5,6-tetrahydrophenanthrene
SMILESCC1CC=Cc2ccc3c(c21)CCC=C3
InChIInChI=1S/C15H16/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13/h2,4,6-7,9-11H,3,5,8H2,1H3
InChIKeyNMCWMQPPDUSHIA-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,7-dimethyl-3,4-dihydrophenanthrene
CID 123770544
1-methyl-1,2,5,6-tetrahydronaphthalene
CID 90700254
N-methyl-7,8-dihydronaphthalen-1-amine
CID 145048997
8-ethyl-1,2-dihydronaphthalene
CID 13330233
(8-methyl-1-naphthalen-1-yl-7,8-dihydronaphthalen-2-yl)methylphosphane
CID 142046135
1-methyl-2,3,3a,4-tetrahydro-1H-phenalene
CID 173375085
9-methyl-3,4,5,6-tetrahydrochrysene
CID 144659950
1,6-dimethyl-1,2-dihydronaphthalene
CID 11171128
(1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride
CID 169449547
(7Z)-8-methylidene-7-prop-2-enylidene-1,2-dihydronaphthalene
CID 143368966
10-methyl-9,10-dihydrobenzo[8]annulen-1-amine
CID 91151311
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole
CID 166647626

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,5,6-tetrahydrophenanthrene?
The IUPAC name of 4-methyl-3,4,5,6-tetrahydrophenanthrene (CID 123289804) is 4-methyl-3,4,5,6-tetrahydrophenanthrene.
What is the SMILES notation for 4-methyl-3,4,5,6-tetrahydrophenanthrene?
The canonical SMILES for 4-methyl-3,4,5,6-tetrahydrophenanthrene is CC1CC=Cc2ccc3c(c21)CCC=C3.
What is the InChIKey of 4-methyl-3,4,5,6-tetrahydrophenanthrene?
The InChIKey is NMCWMQPPDUSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13/h2,4,6-7,9-11H,3,5,8H2,1H3.
What are the key properties of 4-methyl-3,4,5,6-tetrahydrophenanthrene?
4-methyl-3,4,5,6-tetrahydrophenanthrene has a molecular weight of 196.29 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4,5,6-tetrahydrophenanthrene is sourced from PubChem (CID 123289804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).