8-chloro-5,6-dihydrochrysene

C18H13Cl — CID 174309529

IUPAC8-chloro-5,6-dihydrochrysene
SMILESClc1ccc2c(c1)CCc1c-2ccc2ccccc12
InChIInChI=1S/C18H13Cl/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-5,7-8,10-11H,6,9H2
InChIKeyYOIGQUWONXNLRI-UHFFFAOYSA-N
MW264.75 g/mol
LogP5.26
Rot. Bonds

About 8-chloro-5,6-dihydrochrysene

8-chloro-5,6-dihydrochrysene (PubChem CID 174309529) has the molecular formula C18H13Cl and a molecular weight of 264.75 g/mol. Its IUPAC name is 8-chloro-5,6-dihydrochrysene.

Molecular Properties

Compound Name8-chloro-5,6-dihydrochrysene
PubChem CID174309529
Molecular FormulaC18H13Cl
Molecular Weight264.75 g/mol
Exact Mass264.07
IUPAC Name8-chloro-5,6-dihydrochrysene
SMILESClc1ccc2c(c1)CCc1c-2ccc2ccccc12
InChIInChI=1S/C18H13Cl/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-5,7-8,10-11H,6,9H2
InChIKeyYOIGQUWONXNLRI-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.75
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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12-(2,4-dichlorophenyl)-11-azatetracyclo[8.6.0.02,7.013,16]hexadeca-1(10),2,4,6,8,11,13(16)-heptaene
CID 102369374
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
1-(4-chloro-2-fluorophenyl)naphthalen-2-ol
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heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
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CID 13401823
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CID 81431357

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5,6-dihydrochrysene?
The IUPAC name of 8-chloro-5,6-dihydrochrysene (CID 174309529) is 8-chloro-5,6-dihydrochrysene.
What is the SMILES notation for 8-chloro-5,6-dihydrochrysene?
The canonical SMILES for 8-chloro-5,6-dihydrochrysene is Clc1ccc2c(c1)CCc1c-2ccc2ccccc12.
What is the InChIKey of 8-chloro-5,6-dihydrochrysene?
The InChIKey is YOIGQUWONXNLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-5,7-8,10-11H,6,9H2.
What are the key properties of 8-chloro-5,6-dihydrochrysene?
8-chloro-5,6-dihydrochrysene has a molecular weight of 264.75 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5,6-dihydrochrysene is sourced from PubChem (CID 174309529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).