3,4,5,6,9,10-hexahydrophenanthrene

C14H16 — CID 123501640

IUPAC3,4,5,6,9,10-hexahydrophenanthrene
SMILESC1=CC2=C(CC1)C1=C(C=CCC1)CC2
InChIInChI=1S/C14H16/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-2,5-6H,3-4,7-10H2
InChIKeyNXURIFXGFIWFSY-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.07
Rot. Bonds

About 3,4,5,6,9,10-hexahydrophenanthrene

3,4,5,6,9,10-hexahydrophenanthrene (PubChem CID 123501640) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3,4,5,6,9,10-hexahydrophenanthrene.

Molecular Properties

Compound Name3,4,5,6,9,10-hexahydrophenanthrene
PubChem CID123501640
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name3,4,5,6,9,10-hexahydrophenanthrene
SMILESC1=CC2=C(CC1)C1=C(C=CCC1)CC2
InChIInChI=1S/C14H16/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-2,5-6H,3-4,7-10H2
InChIKeyNXURIFXGFIWFSY-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5,6,9,10-octahydrophenanthrene
CID 148687611
CID 91435549
CID 91435549
1,3-dimethyl-4,5-dihydro-2H-indene
CID 158841865
3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride
CID 144971731
4-methylidene-5,6-dihydro-1H-2,3-benzoxazine
CID 167095661
2-methyl-5,6-dihydro-1H-isoquinolin-4-amine
CID 152907666
(2Z)-2-cyclohex-2-en-1-ylidenecyclohexan-1-one
CID 70608062
3-(4-methylphenyl)-4,5-dihydro-1H-indene
CID 57241660
bicyclo[5.1.0]octa-1(7),2-diene
CID 123578884
1,2,3,4,5,6-hexahydroisoquinoline
CID 22152420
1,2,5,6-tetrahydroisoquinoline
CID 173071851
(2Z,8Z)-tricyclo[8.2.0.04,7]dodeca-1(10),2,4(7),8-tetraene
CID 59575046

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,9,10-hexahydrophenanthrene?
The IUPAC name of 3,4,5,6,9,10-hexahydrophenanthrene (CID 123501640) is 3,4,5,6,9,10-hexahydrophenanthrene.
What is the SMILES notation for 3,4,5,6,9,10-hexahydrophenanthrene?
The canonical SMILES for 3,4,5,6,9,10-hexahydrophenanthrene is C1=CC2=C(CC1)C1=C(C=CCC1)CC2.
What is the InChIKey of 3,4,5,6,9,10-hexahydrophenanthrene?
The InChIKey is NXURIFXGFIWFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 3,4,5,6,9,10-hexahydrophenanthrene?
3,4,5,6,9,10-hexahydrophenanthrene has a molecular weight of 184.28 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,9,10-hexahydrophenanthrene is sourced from PubChem (CID 123501640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).