1-chloro-1H-cyclopropa[a]naphthalene

C11H7Cl — CID 67741182

IUPAC1-chloro-1H-cyclopropa[a]naphthalene
SMILESClC1c2ccc3ccccc3c21
InChIInChI=1S/C11H7Cl/c12-11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-6,11H
InChIKeyZOHICXPZPOCARZ-UHFFFAOYSA-N
MW174.63 g/mol
LogP3.48
Rot. Bonds

About 1-chloro-1H-cyclopropa[a]naphthalene

1-chloro-1H-cyclopropa[a]naphthalene (PubChem CID 67741182) has the molecular formula C11H7Cl and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-chloro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name1-chloro-1H-cyclopropa[a]naphthalene
PubChem CID67741182
Molecular FormulaC11H7Cl
Molecular Weight174.63 g/mol
Exact Mass174.02
IUPAC Name1-chloro-1H-cyclopropa[a]naphthalene
SMILESClC1c2ccc3ccccc3c21
InChIInChI=1S/C11H7Cl/c12-11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-6,11H
InChIKeyZOHICXPZPOCARZ-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine
CID 135045429
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
(12S)-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
CID 24766854
(1R,2S,13R,14R)-pentacyclo[12.2.1.02,13.03,12.04,9]heptadeca-3(12),4,6,8,10,15-hexaene
CID 154715457
tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine
CID 22665415
3,6,9-trioxapentacyclo[9.8.0.02,4.08,10.012,17]nonadeca-1(11),12,14,16,18-pentaene
CID 140999347
phenanthrene;pyrene;triphenylene
CID 162115949
pentacyclo[8.8.0.02,7.03,6.011,16]octadeca-1(10),2(7),8,11,13,15,17-heptaene
CID 174715167
4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
CID 100944396
bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane
CID 140986794

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1H-cyclopropa[a]naphthalene?
The IUPAC name of 1-chloro-1H-cyclopropa[a]naphthalene (CID 67741182) is 1-chloro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for 1-chloro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for 1-chloro-1H-cyclopropa[a]naphthalene is ClC1c2ccc3ccccc3c21.
What is the InChIKey of 1-chloro-1H-cyclopropa[a]naphthalene?
The InChIKey is ZOHICXPZPOCARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl/c12-11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-6,11H.
What are the key properties of 1-chloro-1H-cyclopropa[a]naphthalene?
1-chloro-1H-cyclopropa[a]naphthalene has a molecular weight of 174.63 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 67741182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).