4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran

C17H15ClO — CID 114822588

IUPAC4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran
SMILESCc1cc(C(Cl)c2ccc(C)c3ccccc23)co1
InChIInChI=1S/C17H15ClO/c1-11-7-8-16(15-6-4-3-5-14(11)15)17(18)13-9-12(2)19-10-13/h3-10,17H,1-2H3
InChIKeyCKJKMWVBEVLOJJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP5.38
Rot. Bonds2

About 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran

4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran (PubChem CID 114822588) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran.

Molecular Properties

Compound Name4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran
PubChem CID114822588
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran
SMILESCc1cc(C(Cl)c2ccc(C)c3ccccc23)co1
InChIInChI=1S/C17H15ClO/c1-11-7-8-16(15-6-4-3-5-14(11)15)17(18)13-9-12(2)19-10-13/h3-10,17H,1-2H3
InChIKeyCKJKMWVBEVLOJJ-UHFFFAOYSA-N
XLogP5.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.76
LogP ≤ 55.38
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

4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran
CID 114939661
2-bromo-4-[chloro-(4-methylnaphthalen-1-yl)methyl]thiophene
CID 114021666
1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
CID 82876216
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
1-[chloro-(2-methylsulfanylphenyl)methyl]-4-methylnaphthalene
CID 79212013
4-[chloro-(4-methylphenyl)methyl]-2-methylfuran
CID 114822398
1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene
CID 107099272
4-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-2-methylfuran
CID 114822406
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran?
The IUPAC name of 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran (CID 114822588) is 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran.
What is the SMILES notation for 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran?
The canonical SMILES for 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran is Cc1cc(C(Cl)c2ccc(C)c3ccccc23)co1.
What is the InChIKey of 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran?
The InChIKey is CKJKMWVBEVLOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO/c1-11-7-8-16(15-6-4-3-5-14(11)15)17(18)13-9-12(2)19-10-13/h3-10,17H,1-2H3.
What are the key properties of 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran?
4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran has a molecular weight of 270.76 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran is sourced from PubChem (CID 114822588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).