benzhydryl 1-hydroxycyclopropane-1-carboxylate

C17H16O3 — CID 125496378

IUPACbenzhydryl 1-hydroxycyclopropane-1-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C1(O)CC1
InChIInChI=1S/C17H16O3/c18-16(17(19)11-12-17)20-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2
InChIKeyLGNDOYUITNQPBS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.84
Rot. Bonds4

About benzhydryl 1-hydroxycyclopropane-1-carboxylate

benzhydryl 1-hydroxycyclopropane-1-carboxylate (PubChem CID 125496378) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is benzhydryl 1-hydroxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namebenzhydryl 1-hydroxycyclopropane-1-carboxylate
PubChem CID125496378
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namebenzhydryl 1-hydroxycyclopropane-1-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C1(O)CC1
InChIInChI=1S/C17H16O3/c18-16(17(19)11-12-17)20-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2
InChIKeyLGNDOYUITNQPBS-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzhydryl 2,2-dihydroxyacetate
CID 11076121
benzhydryl 2,2-dichloroacetate
CID 102144827
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
dibenzhydryl (E)-but-2-enedioate
CID 19073748
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl (2R)-2-chloropropanoate
CID 14524946
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl (2R)-3-cyano-2-phenylpropanoate
CID 166439913
benzhydryl (2R)-2-bromo-3-hydroxypropanoate
CID 125496353
benzhydryl cyclobutanecarboxylate
CID 134016551
benzhydryl 2-hydroxybut-2-enoate
CID 154093504
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710

Frequently Asked Questions

What is the IUPAC name of benzhydryl 1-hydroxycyclopropane-1-carboxylate?
The IUPAC name of benzhydryl 1-hydroxycyclopropane-1-carboxylate (CID 125496378) is benzhydryl 1-hydroxycyclopropane-1-carboxylate.
What is the SMILES notation for benzhydryl 1-hydroxycyclopropane-1-carboxylate?
The canonical SMILES for benzhydryl 1-hydroxycyclopropane-1-carboxylate is O=C(OC(c1ccccc1)c1ccccc1)C1(O)CC1.
What is the InChIKey of benzhydryl 1-hydroxycyclopropane-1-carboxylate?
The InChIKey is LGNDOYUITNQPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-16(17(19)11-12-17)20-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2.
What are the key properties of benzhydryl 1-hydroxycyclopropane-1-carboxylate?
benzhydryl 1-hydroxycyclopropane-1-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 1-hydroxycyclopropane-1-carboxylate is sourced from PubChem (CID 125496378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).