6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene

C19H21ClO — CID 63435187

IUPAC6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCc1cc(C)c(C(Cl)c2ccc3c(c2)CCCO3)c(C)c1
InChIInChI=1S/C19H21ClO/c1-12-9-13(2)18(14(3)10-12)19(20)16-6-7-17-15(11-16)5-4-8-21-17/h6-7,9-11,19H,4-5,8H2,1-3H3
InChIKeyUJQNNJPKGZYLSF-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.27
Rot. Bonds2

About 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene

6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 63435187) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID63435187
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCc1cc(C)c(C(Cl)c2ccc3c(c2)CCCO3)c(C)c1
InChIInChI=1S/C19H21ClO/c1-12-9-13(2)18(14(3)10-12)19(20)16-6-7-17-15(11-16)5-4-8-21-17/h6-7,9-11,19H,4-5,8H2,1-3H3
InChIKeyUJQNNJPKGZYLSF-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084680
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435190
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene (CID 63435187) is 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene is Cc1cc(C)c(C(Cl)c2ccc3c(c2)CCCO3)c(C)c1.
What is the InChIKey of 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is UJQNNJPKGZYLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c1-12-9-13(2)18(14(3)10-12)19(20)16-6-7-17-15(11-16)5-4-8-21-17/h6-7,9-11,19H,4-5,8H2,1-3H3.
What are the key properties of 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene?
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 300.83 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63435187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).