4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene

C17H18Cl2O — CID 152534426

IUPAC4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene
SMILESCOC1(Cl)C=CC=CC1C1(Cl)CCCc2ccccc21
InChIInChI=1S/C17H18Cl2O/c1-20-17(19)12-5-4-10-15(17)16(18)11-6-8-13-7-2-3-9-14(13)16/h2-5,7,9-10,12,15H,6,8,11H2,1H3
InChIKeyYKFGSGJNEQQYBT-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.78
Rot. Bonds2

About 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene

4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene (PubChem CID 152534426) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene
PubChem CID152534426
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene
SMILESCOC1(Cl)C=CC=CC1C1(Cl)CCCc2ccccc21
InChIInChI=1S/C17H18Cl2O/c1-20-17(19)12-5-4-10-15(17)16(18)11-6-8-13-7-2-3-9-14(13)16/h2-5,7,9-10,12,15H,6,8,11H2,1H3
InChIKeyYKFGSGJNEQQYBT-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
(1-cyclopropyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 104819342
1-[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 103984610
[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl-trimethylsilane
CID 106324106
(1-cyclopentyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 82933231
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1H-naphthalene]
CID 56653224
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183
(1-cyclohexyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 82944714
spiro[1,9a-dihydrofluorene-9,4'-2,3-dihydro-1H-naphthalene]
CID 163783205
1'-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 143568861

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene (CID 152534426) is 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene is COC1(Cl)C=CC=CC1C1(Cl)CCCc2ccccc21.
What is the InChIKey of 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene?
The InChIKey is YKFGSGJNEQQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-20-17(19)12-5-4-10-15(17)16(18)11-6-8-13-7-2-3-9-14(13)16/h2-5,7,9-10,12,15H,6,8,11H2,1H3.
What are the key properties of 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene?
4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene has a molecular weight of 309.24 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 152534426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).