1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene

C21H20 — CID 175297840

IUPAC1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
SMILESCC1(C)CC1c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C21H20/c1-21(2)14-20(21)19-12-6-5-11-18(19)17-13-7-9-15-8-3-4-10-16(15)17/h3-13,20H,14H2,1-2H3
InChIKeyGWCGHHKHPLWKQD-UHFFFAOYSA-N
MW272.39 g/mol
LogP6.02
Rot. Bonds2

About 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene

1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene (PubChem CID 175297840) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene.

Molecular Properties

Compound Name1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
PubChem CID175297840
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
SMILESCC1(C)CC1c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C21H20/c1-21(2)14-20(21)19-12-6-5-11-18(19)17-13-7-9-15-8-3-4-10-16(15)17/h3-13,20H,14H2,1-2H3
InChIKeyGWCGHHKHPLWKQD-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
5-chloro-1-methyl-2-(2-naphthalen-1-ylphenyl)imidazolidine
CID 54567818
2,2-dimethyl-3-naphthalen-1-yloxirane
CID 116864134
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene?
The IUPAC name of 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene (CID 175297840) is 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene.
What is the SMILES notation for 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene?
The canonical SMILES for 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene is CC1(C)CC1c1ccccc1-c1cccc2ccccc12.
What is the InChIKey of 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene?
The InChIKey is GWCGHHKHPLWKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-21(2)14-20(21)19-12-6-5-11-18(19)17-13-7-9-15-8-3-4-10-16(15)17/h3-13,20H,14H2,1-2H3.
What are the key properties of 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene?
1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene has a molecular weight of 272.39 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene is sourced from PubChem (CID 175297840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).