ethoxybenzene chloride

C8H10ClO- — CID 21193593

IUPACethoxybenzene chloride
SMILESCCOc1ccccc1.[Cl-]
InChIInChI=1S/C8H10O.ClH/c1-2-9-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/p-1
InChIKeyHFIMDRVULDXFHV-UHFFFAOYSA-M
MW157.62 g/mol
LogP-0.91
Rot. Bonds2

About ethoxybenzene chloride

ethoxybenzene chloride (PubChem CID 21193593) has the molecular formula C8H10ClO- and a molecular weight of 157.62 g/mol. Its IUPAC name is ethoxybenzene chloride.

Molecular Properties

Compound Nameethoxybenzene chloride
PubChem CID21193593
Molecular FormulaC8H10ClO-
Molecular Weight157.62 g/mol
Exact Mass157.04
IUPAC Nameethoxybenzene chloride
SMILESCCOc1ccccc1.[Cl-]
InChIInChI=1S/C8H10O.ClH/c1-2-9-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/p-1
InChIKeyHFIMDRVULDXFHV-UHFFFAOYSA-M
XLogP-0.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.62
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethoxybenzene;molecular iodine
CID 67763605
ethoxybenzene;ethoxyethane
CID 67764259
ethoxybenzene tetrafluoroborate
CID 174807216
ethoxybenzene;propoxybenzene
CID 67747691
2-chloroacetic acid;ethoxybenzene
CID 174963019
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
ethoxybenzene;2-ethyloxirane
CID 160565923
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene chloride?
The IUPAC name of ethoxybenzene chloride (CID 21193593) is ethoxybenzene chloride.
What is the SMILES notation for ethoxybenzene chloride?
The canonical SMILES for ethoxybenzene chloride is CCOc1ccccc1.[Cl-].
What is the InChIKey of ethoxybenzene chloride?
The InChIKey is HFIMDRVULDXFHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O.ClH/c1-2-9-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/p-1.
What are the key properties of ethoxybenzene chloride?
ethoxybenzene chloride has a molecular weight of 157.62 g/mol, XLogP of -0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene chloride is sourced from PubChem (CID 21193593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).