2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene

C18H19BrO2 — CID 58999622

IUPAC2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene
SMILESCc1ccc2c(c1)OC(COCc1ccc(Br)cc1)CC2
InChIInChI=1S/C18H19BrO2/c1-13-2-5-15-6-9-17(21-18(15)10-13)12-20-11-14-3-7-16(19)8-4-14/h2-5,7-8,10,17H,6,9,11-12H2,1H3
InChIKeySCJSJHUPRYXNOZ-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.67
Rot. Bonds4

About 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene

2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene (PubChem CID 58999622) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene
PubChem CID58999622
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene
SMILESCc1ccc2c(c1)OC(COCc1ccc(Br)cc1)CC2
InChIInChI=1S/C18H19BrO2/c1-13-2-5-15-6-9-17(21-18(15)10-13)12-20-11-14-3-7-16(19)8-4-14/h2-5,7-8,10,17H,6,9,11-12H2,1H3
InChIKeySCJSJHUPRYXNOZ-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 67216701
3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline
CID 123793833
O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine
CID 117202822
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
[7-(methanesulfonamido)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
CID 10573685
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988
1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
CID 117202827
ethyl 7-[(4-methylphenyl)methoxy]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392783
2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)acetamide
CID 121345059
2-[(2R)-6-methyl-3,4-dihydro-2H-chromen-2-yl]acetic acid
CID 147031963
1-[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
CID 160998692

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene (CID 58999622) is 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene is Cc1ccc2c(c1)OC(COCc1ccc(Br)cc1)CC2.
What is the InChIKey of 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene?
The InChIKey is SCJSJHUPRYXNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-13-2-5-15-6-9-17(21-18(15)10-13)12-20-11-14-3-7-16(19)8-4-14/h2-5,7-8,10,17H,6,9,11-12H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene?
2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene has a molecular weight of 347.25 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58999622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).