2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane

C18H15BrO2 — CID 134842225

IUPAC2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3cc(Br)c4ccccc4c3c2)OCCO1
InChIInChI=1S/C18H15BrO2/c1-18(20-8-9-21-18)13-7-6-12-10-17(19)15-5-3-2-4-14(15)16(12)11-13/h2-7,10-11H,8-9H2,1H3
InChIKeyYFANLXVHDUTOIE-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.97
Rot. Bonds1

About 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane

2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane (PubChem CID 134842225) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane
PubChem CID134842225
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3cc(Br)c4ccccc4c3c2)OCCO1
InChIInChI=1S/C18H15BrO2/c1-18(20-8-9-21-18)13-7-6-12-10-17(19)15-5-3-2-4-14(15)16(12)11-13/h2-7,10-11H,8-9H2,1H3
InChIKeyYFANLXVHDUTOIE-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2-(methoxymethyl)naphthalene
CID 12385765
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082420
1-Bromo-3-[2,2,2-trifluoro-1-(methoxymethoxy)ethyl]naphthalene
CID 164519749
1-Bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene
CID 177327080
1,3-Dioxolane, 2-(bromomethyl)-2-(2-naphthalenyl)-
CID 607997
2-(1-Bromonaphthalen-2-yl)-1,3-dioxolane
CID 10660291
2-[3,5-Dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane
CID 11313574
2-Bromo-1-(1-prop-2-enoxybut-3-enyl)naphthalene
CID 101512800
2-(2-bromonaphthalen-1-yl)-3,6-dihydro-2H-pyran
CID 101512801
2-(1-bromonaphthalen-2-yl)-5-methyl-3,6-dihydro-2H-pyran
CID 101512804
2-Bromo-1-[1-(2-methylprop-2-enoxy)but-3-enyl]naphthalene
CID 101512805
2-(2-bromonaphthalen-1-yl)-5-methyl-3,6-dihydro-2H-pyran
CID 101512806

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane (CID 134842225) is 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane is CC1(c2ccc3cc(Br)c4ccccc4c3c2)OCCO1.
What is the InChIKey of 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane?
The InChIKey is YFANLXVHDUTOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-18(20-8-9-21-18)13-7-6-12-10-17(19)15-5-3-2-4-14(15)16(12)11-13/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane?
2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane has a molecular weight of 343.22 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromophenanthren-3-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 134842225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).